(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride

C60H79ClO14 — CID 157335086

IUPAC(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride
SMILESC.C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O.C=C(C)C(CC=C(C)C)Cc1c(OCOC)cc(OC)c(C(=O)/C=C/c2ccc(OCOC)cc2OCOC)c1C.Cl
InChIInChI=1S/C33H44O8.C26H30O6.CH4.ClH/c1-22(2)10-11-26(23(3)4)16-28-24(5)33(32(38-9)18-31(28)41-21-37-8)29(34)15-13-25-12-14-27(39-19-35-6)17-30(25)40-20-36-7;1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29;;/h10,12-15,17-18,26H,3,11,16,19-21H2,1-2,4-9H3;6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3;1H4;1H/b15-13+;11-9+;;
InChIKeyWVPRPMATXOQHEC-MMOVCROUSA-N
MW1059.73 g/mol
LogP13.50
Rot. Bonds27

About (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride

(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride (PubChem CID 157335086) has the molecular formula C60H79ClO14 and a molecular weight of 1059.73 g/mol. Its IUPAC name is (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride.

Molecular Properties

Compound Name(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride
PubChem CID157335086
Molecular FormulaC60H79ClO14
Molecular Weight1059.73 g/mol
Exact Mass1058.52
IUPAC Name(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride
SMILESC.C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O.C=C(C)C(CC=C(C)C)Cc1c(OCOC)cc(OC)c(C(=O)/C=C/c2ccc(OCOC)cc2OCOC)c1C.Cl
InChIInChI=1S/C33H44O8.C26H30O6.CH4.ClH/c1-22(2)10-11-26(23(3)4)16-28-24(5)33(32(38-9)18-31(28)41-21-37-8)29(34)15-13-25-12-14-27(39-19-35-6)17-30(25)40-20-36-7;1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29;;/h10,12-15,17-18,26H,3,11,16,19-21H2,1-2,4-9H3;6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3;1H4;1H/b15-13+;11-9+;;
InChIKeyWVPRPMATXOQHEC-MMOVCROUSA-N
XLogP13.50
TPSA188.90 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001059.73
LogP ≤ 513.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone;2-(methoxymethoxy)-4-methylbenzaldehyde;hydroxide
CID 159276488
1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]ethanone
CID 157270346
(E)-1-[2,4-dihydroxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 6247097
3-[2,4-bis(methoxymethoxy)phenyl]-1-[2,4,6-trimethoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]propan-1-one
CID 146614218
1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 146613965
1-[2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 20979930
1-[2,4-dihydroxy-3-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-6-methoxyphenyl]-3-(2,4-dihydroxyphenyl)-2-hydroxyprop-2-en-1-one
CID 163002103
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 44577476
(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-2-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one;(E)-1-[4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-2-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
CID 158041307
(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 57402432
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;hydrate
CID 140692362
(E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 100960826

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride?
The IUPAC name of (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride (CID 157335086) is (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride.
What is the SMILES notation for (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride?
The canonical SMILES for (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride is C.C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O.C=C(C)C(CC=C(C)C)Cc1c(OCOC)cc(OC)c(C(=O)/C=C/c2ccc(OCOC)cc2OCOC)c1C.Cl.
What is the InChIKey of (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride?
The InChIKey is WVPRPMATXOQHEC-MMOVCROUSA-N. The full InChI is InChI=1S/C33H44O8.C26H30O6.CH4.ClH/c1-22(2)10-11-26(23(3)4)16-28-24(5)33(32(38-9)18-31(28)41-21-37-8)29(34)15-13-25-12-14-27(39-19-35-6)17-30(25)40-20-36-7;1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29;;/h10,12-15,17-18,26H,3,11,16,19-21H2,1-2,4-9H3;6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3;1H4;1H/b15-13+;11-9+;;.
What are the key properties of (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride?
(E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride has a molecular weight of 1059.73 g/mol, XLogP of 13.50, 27 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[6-methoxy-4-(methoxymethoxy)-2-methyl-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]prop-2-en-1-one;(E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one;methane;hydrochloride is sourced from PubChem (CID 157335086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).