1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one

C22H24O7 — CID 68935399

IUPAC1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C=CC(=O)c2c(O)cc(OCOC)cc2OCOC)cc1
InChIInChI=1S/C22H24O7/c1-4-11-27-17-8-5-16(6-9-17)7-10-19(23)22-20(24)12-18(28-14-25-2)13-21(22)29-15-26-3/h4-10,12-13,24H,1,11,14-15H2,2-3H3
InChIKeyXVZDBOAEUKZDFG-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.82
Rot. Bonds12

About 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one

1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one (PubChem CID 68935399) has the molecular formula C22H24O7 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
PubChem CID68935399
Molecular FormulaC22H24O7
Molecular Weight400.43 g/mol
Exact Mass400.15
IUPAC Name1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C=CC(=O)c2c(O)cc(OCOC)cc2OCOC)cc1
InChIInChI=1S/C22H24O7/c1-4-11-27-17-8-5-16(6-9-17)7-10-19(23)22-20(24)12-18(28-14-25-2)13-21(22)29-15-26-3/h4-10,12-13,24H,1,11,14-15H2,2-3H3
InChIKeyXVZDBOAEUKZDFG-UHFFFAOYSA-N
XLogP3.82
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

(E)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 58379473
(E)-3-(4-butoxyphenyl)-1-(2,4-dibutoxy-6-hydroxyphenyl)prop-2-en-1-one
CID 89141541
1-[2,4-bis(ethoxymethoxy)-6-hydroxyphenyl]-3-[3,4-bis(ethoxymethoxy)phenyl]prop-2-en-1-one
CID 53407496
(E)-3-(4-bromophenyl)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]prop-2-en-1-one
CID 67347655
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
CID 25133926
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
CID 163381454
(E)-1-(2,4-dibutoxy-6-hydroxyphenyl)-3-(3,4-dibutoxyphenyl)prop-2-en-1-one
CID 89104241
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 77443724
(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 57391893
[4-[3-(4-acetyloxy-2-hydroxy-6-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 74110996
1-[2-hydroxy-6-(methoxymethoxy)phenyl]-3-[4-methoxy-3-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 123861395
3-(1,3-benzodioxol-5-yl)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]prop-2-en-1-one
CID 76771516

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one (CID 68935399) is 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one is C=CCOc1ccc(C=CC(=O)c2c(O)cc(OCOC)cc2OCOC)cc1.
What is the InChIKey of 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The InChIKey is XVZDBOAEUKZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O7/c1-4-11-27-17-8-5-16(6-9-17)7-10-19(23)22-20(24)12-18(28-14-25-2)13-21(22)29-15-26-3/h4-10,12-13,24H,1,11,14-15H2,2-3H3.
What are the key properties of 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one has a molecular weight of 400.43 g/mol, XLogP of 3.82, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 68935399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).