(E)-2-methyl-1-phenylpent-1-en-3-ol

C12H16O — CID 13465033

IUPAC(E)-2-methyl-1-phenylpent-1-en-3-ol
SMILESCCC(O)/C(C)=C/c1ccccc1
InChIInChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3/b10-9+
InChIKeyOWGNPUJWHVDTGC-MDZDMXLPSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds3

About (E)-2-methyl-1-phenylpent-1-en-3-ol

(E)-2-methyl-1-phenylpent-1-en-3-ol (PubChem CID 13465033) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (E)-2-methyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-2-methyl-1-phenylpent-1-en-3-ol
PubChem CID13465033
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(E)-2-methyl-1-phenylpent-1-en-3-ol
SMILESCCC(O)/C(C)=C/c1ccccc1
InChIInChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3/b10-9+
InChIKeyOWGNPUJWHVDTGC-MDZDMXLPSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-2-methyl-1-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 (E)-2-methyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E)-2-methyl-1-phenylpent-1-en-3-ol (CID 13465033) is (E)-2-methyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E)-2-methyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E)-2-methyl-1-phenylpent-1-en-3-ol is CCC(O)/C(C)=C/c1ccccc1.
What is the InChIKey of (E)-2-methyl-1-phenylpent-1-en-3-ol?
The InChIKey is OWGNPUJWHVDTGC-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-9,12-13H,3H2,1-2H3/b10-9+.
What are the key properties of (E)-2-methyl-1-phenylpent-1-en-3-ol?
(E)-2-methyl-1-phenylpent-1-en-3-ol has a molecular weight of 176.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 13465033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).