4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol

C16H18O3 — CID 5315503

IUPAC4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1CCCc1ccc(O)cc1
InChIInChI=1S/C16H18O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
InChIKeyCJJJQWAYMRTLJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.28
Rot. Bonds5

About 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol

4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol (PubChem CID 5315503) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol
PubChem CID5315503
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1CCCc1ccc(O)cc1
InChIInChI=1S/C16H18O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
InChIKeyCJJJQWAYMRTLJT-UHFFFAOYSA-N
XLogP3.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol 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-hydroxyphenyl)propyl]-3-methoxyphenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol (CID 5315503) is 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol is COc1cc(O)ccc1CCCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol?
The InChIKey is CJJJQWAYMRTLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol?
4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol has a molecular weight of 258.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)propyl]-3-methoxyphenol is sourced from PubChem (CID 5315503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).