[4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol

C22H24O6 — CID 11794425

IUPAC[4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)c(CO)cc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C22H24O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-10,23-24H,11-12H2,1-4H3
InChIKeyXLIGEVMSLRBZGG-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.53
Rot. Bonds7

About [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol

[4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol (PubChem CID 11794425) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol
PubChem CID11794425
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name[4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)c(CO)cc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C22H24O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-10,23-24H,11-12H2,1-4H3
InChIKeyXLIGEVMSLRBZGG-UHFFFAOYSA-N
XLogP3.53
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol (CID 11794425) is [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol is COc1ccc(-c2c(CO)c(CO)cc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
The InChIKey is XLIGEVMSLRBZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c1-25-18-6-5-13(8-19(18)26-2)22-16-10-21(28-4)20(27-3)9-14(16)7-15(11-23)17(22)12-24/h5-10,23-24H,11-12H2,1-4H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol?
[4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol has a molecular weight of 384.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalen-2-yl]methanol is sourced from PubChem (CID 11794425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).