(E)-3-methyl-5-phenylpent-4-en-1-ol

C12H16O — CID 22118476

IUPAC(E)-3-methyl-5-phenylpent-4-en-1-ol
SMILESCC(/C=C/c1ccccc1)CCO
InChIInChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+
InChIKeyKPKLDTSJKNFABZ-BQYQJAHWSA-N
MW176.26 g/mol
LogP2.72
Rot. Bonds4

About (E)-3-methyl-5-phenylpent-4-en-1-ol

(E)-3-methyl-5-phenylpent-4-en-1-ol (PubChem CID 22118476) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (E)-3-methyl-5-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-5-phenylpent-4-en-1-ol
PubChem CID22118476
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(E)-3-methyl-5-phenylpent-4-en-1-ol
SMILESCC(/C=C/c1ccccc1)CCO
InChIInChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+
InChIKeyKPKLDTSJKNFABZ-BQYQJAHWSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-phenylpent-4-en-1-ol?
The IUPAC name of (E)-3-methyl-5-phenylpent-4-en-1-ol (CID 22118476) is (E)-3-methyl-5-phenylpent-4-en-1-ol.
What is the SMILES notation for (E)-3-methyl-5-phenylpent-4-en-1-ol?
The canonical SMILES for (E)-3-methyl-5-phenylpent-4-en-1-ol is CC(/C=C/c1ccccc1)CCO.
What is the InChIKey of (E)-3-methyl-5-phenylpent-4-en-1-ol?
The InChIKey is KPKLDTSJKNFABZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+.
What are the key properties of (E)-3-methyl-5-phenylpent-4-en-1-ol?
(E)-3-methyl-5-phenylpent-4-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-phenylpent-4-en-1-ol is sourced from PubChem (CID 22118476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).