4-[2-(4-hydroxyphenyl)butyl]phenol

C16H18O2 — CID 18377765

IUPAC4-[2-(4-hydroxyphenyl)butyl]phenol
SMILESCCC(Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H18O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h3-10,13,17-18H,2,11H2,1H3
InChIKeyFUDQLRPZZUAHBX-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.83
Rot. Bonds4

About 4-[2-(4-hydroxyphenyl)butyl]phenol

4-[2-(4-hydroxyphenyl)butyl]phenol (PubChem CID 18377765) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)butyl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)butyl]phenol
PubChem CID18377765
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-[2-(4-hydroxyphenyl)butyl]phenol
SMILESCCC(Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H18O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h3-10,13,17-18H,2,11H2,1H3
InChIKeyFUDQLRPZZUAHBX-UHFFFAOYSA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)butyl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)butyl]phenol (CID 18377765) is 4-[2-(4-hydroxyphenyl)butyl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)butyl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)butyl]phenol is CCC(Cc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)butyl]phenol?
The InChIKey is FUDQLRPZZUAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h3-10,13,17-18H,2,11H2,1H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)butyl]phenol?
4-[2-(4-hydroxyphenyl)butyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)butyl]phenol is sourced from PubChem (CID 18377765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).