(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol

C23H32O4 — CID 70594960

IUPAC(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol
SMILESCOc1c(C)c(C/C=C(\C)CCC(O)C(C)(C)O)c(OC)c2ccccc12
InChIInChI=1S/C23H32O4/c1-15(12-14-20(24)23(3,4)25)11-13-17-16(2)21(26-5)18-9-7-8-10-19(18)22(17)27-6/h7-11,20,24-25H,12-14H2,1-6H3/b15-11+
InChIKeyWELWQXGTKMIQBR-RVDMUPIBSA-N
MW372.51 g/mol
LogP4.57
Rot. Bonds8

About (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol

(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol (PubChem CID 70594960) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol.

Molecular Properties

Compound Name(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol
PubChem CID70594960
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol
SMILESCOc1c(C)c(C/C=C(\C)CCC(O)C(C)(C)O)c(OC)c2ccccc12
InChIInChI=1S/C23H32O4/c1-15(12-14-20(24)23(3,4)25)11-13-17-16(2)21(26-5)18-9-7-8-10-19(18)22(17)27-6/h7-11,20,24-25H,12-14H2,1-6H3/b15-11+
InChIKeyWELWQXGTKMIQBR-RVDMUPIBSA-N
XLogP4.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-bromo-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-en-2-ol
CID 57132080
(E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol
CID 5469370
1,4-dimethoxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene
CID 118053661
4-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylbut-2-enal
CID 86141034
magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide
CID 161293164
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
CID 71340836
2-(14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl)-5-methylcyclohexa-2,5-diene-1,4-dione
CID 75149545
tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane
CID 124629299
[4-acetyloxy-3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22-hexaenyl]-2-methylnaphthalen-1-yl] acetate
CID 135190881
[4-acetyloxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalen-1-yl] acetate
CID 5379593
4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-1H-quinolin-2-one
CID 5338262
8-[4-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)-6-methoxyphenyl]-2,6-dimethyloct-6-ene-2,3-diol
CID 162842717

Frequently Asked Questions

What is the IUPAC name of (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol?
The IUPAC name of (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol (CID 70594960) is (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol.
What is the SMILES notation for (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol?
The canonical SMILES for (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol is COc1c(C)c(C/C=C(\C)CCC(O)C(C)(C)O)c(OC)c2ccccc12.
What is the InChIKey of (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol?
The InChIKey is WELWQXGTKMIQBR-RVDMUPIBSA-N. The full InChI is InChI=1S/C23H32O4/c1-15(12-14-20(24)23(3,4)25)11-13-17-16(2)21(26-5)18-9-7-8-10-19(18)22(17)27-6/h7-11,20,24-25H,12-14H2,1-6H3/b15-11+.
What are the key properties of (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol?
(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol has a molecular weight of 372.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol is sourced from PubChem (CID 70594960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).