2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol

C16H18O3 — CID 5315502

IUPAC2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
SMILESCOc1ccc(CCCc2ccc(O)cc2)c(O)c1
InChIInChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
InChIKeyMSNVBURPCQDLEP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.28
Rot. Bonds5

About 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol

2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol (PubChem CID 5315502) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
PubChem CID5315502
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
SMILESCOc1ccc(CCCc2ccc(O)cc2)c(O)c1
InChIInChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
InChIKeyMSNVBURPCQDLEP-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol (CID 5315502) is 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol is COc1ccc(CCCc2ccc(O)cc2)c(O)c1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol?
The InChIKey is MSNVBURPCQDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3.
What are the key properties of 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol?
2-[3-(4-hydroxyphenyl)propyl]-5-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 2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol is sourced from PubChem (CID 5315502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).