4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol

C19H24O2 — CID 158116149

IUPAC4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol
SMILESCCCCC(c1ccc(O)cc1)C(C)c1ccc(O)cc1
InChIInChI=1S/C19H24O2/c1-3-4-5-19(16-8-12-18(21)13-9-16)14(2)15-6-10-17(20)11-7-15/h6-14,19-21H,3-5H2,1-2H3
InChIKeyFRAILTOXPSIPOT-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.18
Rot. Bonds6

About 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol

4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol (PubChem CID 158116149) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol
PubChem CID158116149
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol
SMILESCCCCC(c1ccc(O)cc1)C(C)c1ccc(O)cc1
InChIInChI=1S/C19H24O2/c1-3-4-5-19(16-8-12-18(21)13-9-16)14(2)15-6-10-17(20)11-7-15/h6-14,19-21H,3-5H2,1-2H3
InChIKeyFRAILTOXPSIPOT-UHFFFAOYSA-N
XLogP5.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol 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)heptan-2-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol (CID 158116149) is 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol is CCCCC(c1ccc(O)cc1)C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol?
The InChIKey is FRAILTOXPSIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-3-4-5-19(16-8-12-18(21)13-9-16)14(2)15-6-10-17(20)11-7-15/h6-14,19-21H,3-5H2,1-2H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol?
4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol has a molecular weight of 284.40 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol is sourced from PubChem (CID 158116149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).