2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol

C17H20O4 — CID 25139966

IUPAC2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(CCO)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H20O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(8-9-18)12-6-4-3-5-7-12/h3-7,10-11,14,18-19H,8-9H2,1-2H3
InChIKeyCMWVGCDSWVPLRR-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.92
Rot. Bonds6

About 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol

2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol (PubChem CID 25139966) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
PubChem CID25139966
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(CCO)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H20O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(8-9-18)12-6-4-3-5-7-12/h3-7,10-11,14,18-19H,8-9H2,1-2H3
InChIKeyCMWVGCDSWVPLRR-UHFFFAOYSA-N
XLogP2.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
CID 23628905
2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol
CID 23628742
3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
CID 16746303
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
CID 13359570
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol
CID 171263112
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 16746340
2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol
CID 69132807
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 71540858

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol?
The IUPAC name of 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol (CID 25139966) is 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol.
What is the SMILES notation for 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol?
The canonical SMILES for 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol is COc1cc(O)c(C(CCO)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol?
The InChIKey is CMWVGCDSWVPLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(8-9-18)12-6-4-3-5-7-12/h3-7,10-11,14,18-19H,8-9H2,1-2H3.
What are the key properties of 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol?
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol has a molecular weight of 288.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol is sourced from PubChem (CID 25139966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).