4,5-dimethoxy-2-(2-phenylethyl)phenol

C16H18O3 — CID 174923457

IUPAC4,5-dimethoxy-2-(2-phenylethyl)phenol
SMILESCOc1cc(O)c(CCc2ccccc2)cc1OC
InChIInChI=1S/C16H18O3/c1-18-15-10-13(14(17)11-16(15)19-2)9-8-12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyWMXPDGKUZSIZQB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds5

About 4,5-dimethoxy-2-(2-phenylethyl)phenol

4,5-dimethoxy-2-(2-phenylethyl)phenol (PubChem CID 174923457) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(2-phenylethyl)phenol.

Molecular Properties

Compound Name4,5-dimethoxy-2-(2-phenylethyl)phenol
PubChem CID174923457
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4,5-dimethoxy-2-(2-phenylethyl)phenol
SMILESCOc1cc(O)c(CCc2ccccc2)cc1OC
InChIInChI=1S/C16H18O3/c1-18-15-10-13(14(17)11-16(15)19-2)9-8-12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyWMXPDGKUZSIZQB-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethoxy-2-(2-phenylethyl)phenol 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

1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
2-[3-[3-(2-hydroxy-4,5-dimethoxyphenyl)propyl]phenoxy]acetic acid
CID 156719095
4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol
CID 146343347
2-fluoro-4-methoxy-5-(2-phenylethyl)aniline
CID 58021975
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
CID 172870617
4-(2-phenylethyl)benzene-1,3-diol;hydrate
CID 174818892
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 24807987
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(2-phenylethyl)phenol?
The IUPAC name of 4,5-dimethoxy-2-(2-phenylethyl)phenol (CID 174923457) is 4,5-dimethoxy-2-(2-phenylethyl)phenol.
What is the SMILES notation for 4,5-dimethoxy-2-(2-phenylethyl)phenol?
The canonical SMILES for 4,5-dimethoxy-2-(2-phenylethyl)phenol is COc1cc(O)c(CCc2ccccc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(2-phenylethyl)phenol?
The InChIKey is WMXPDGKUZSIZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-15-10-13(14(17)11-16(15)19-2)9-8-12-6-4-3-5-7-12/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-(2-phenylethyl)phenol?
4,5-dimethoxy-2-(2-phenylethyl)phenol has a molecular weight of 258.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(2-phenylethyl)phenol is sourced from PubChem (CID 174923457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).