4-methyl-2-phenylpent-1-en-3-ol

C12H16O — CID 583722

IUPAC4-methyl-2-phenylpent-1-en-3-ol
SMILESC=C(c1ccccc1)C(O)C(C)C
InChIInChI=1S/C12H16O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3
InChIKeyZZCFIGMBVUUAOZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.72
Rot. Bonds3

About 4-methyl-2-phenylpent-1-en-3-ol

4-methyl-2-phenylpent-1-en-3-ol (PubChem CID 583722) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-2-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name4-methyl-2-phenylpent-1-en-3-ol
PubChem CID583722
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-methyl-2-phenylpent-1-en-3-ol
SMILESC=C(c1ccccc1)C(O)C(C)C
InChIInChI=1S/C12H16O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3
InChIKeyZZCFIGMBVUUAOZ-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-phenylpent-1-en-3-ol 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-methyl-2-phenylpent-1-en-3-ol?
The IUPAC name of 4-methyl-2-phenylpent-1-en-3-ol (CID 583722) is 4-methyl-2-phenylpent-1-en-3-ol.
What is the SMILES notation for 4-methyl-2-phenylpent-1-en-3-ol?
The canonical SMILES for 4-methyl-2-phenylpent-1-en-3-ol is C=C(c1ccccc1)C(O)C(C)C.
What is the InChIKey of 4-methyl-2-phenylpent-1-en-3-ol?
The InChIKey is ZZCFIGMBVUUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3.
What are the key properties of 4-methyl-2-phenylpent-1-en-3-ol?
4-methyl-2-phenylpent-1-en-3-ol has a molecular weight of 176.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylpent-1-en-3-ol is sourced from PubChem (CID 583722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).