4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol

C24H26O — CID 174821921

IUPAC4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
SMILESCCC(C)c1ccc(-c2ccc(O)cc2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C24H26O/c1-4-17(2)21-12-15-23(20-10-13-22(25)14-11-20)24(16-21)18(3)19-8-6-5-7-9-19/h5-18,25H,4H2,1-3H3
InChIKeyXESJOSFOQDKGNY-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.72
Rot. Bonds5

About 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol

4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol (PubChem CID 174821921) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
PubChem CID174821921
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
SMILESCCC(C)c1ccc(-c2ccc(O)cc2)c(C(C)c2ccccc2)c1
InChIInChI=1S/C24H26O/c1-4-17(2)21-12-15-23(20-10-13-22(25)14-11-20)24(16-21)18(3)19-8-6-5-7-9-19/h5-18,25H,4H2,1-3H3
InChIKeyXESJOSFOQDKGNY-UHFFFAOYSA-N
XLogP6.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]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-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol?
The IUPAC name of 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol (CID 174821921) is 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol.
What is the SMILES notation for 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol?
The canonical SMILES for 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol is CCC(C)c1ccc(-c2ccc(O)cc2)c(C(C)c2ccccc2)c1.
What is the InChIKey of 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol?
The InChIKey is XESJOSFOQDKGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-4-17(2)21-12-15-23(20-10-13-22(25)14-11-20)24(16-21)18(3)19-8-6-5-7-9-19/h5-18,25H,4H2,1-3H3.
What are the key properties of 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol?
4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol has a molecular weight of 330.47 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol is sourced from PubChem (CID 174821921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).