(Z)-5-(2-methylphenyl)pent-3-en-1-ol

C12H16O — CID 117267923

IUPAC(Z)-5-(2-methylphenyl)pent-3-en-1-ol
SMILESCc1ccccc1C/C=C\CCO
InChIInChI=1S/C12H16O/c1-11-7-4-5-9-12(11)8-3-2-6-10-13/h2-5,7,9,13H,6,8,10H2,1H3/b3-2-
InChIKeyXFHNFVRXUNTAEU-IHWYPQMZSA-N
MW176.26 g/mol
LogP2.48
Rot. Bonds4

About (Z)-5-(2-methylphenyl)pent-3-en-1-ol

(Z)-5-(2-methylphenyl)pent-3-en-1-ol (PubChem CID 117267923) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (Z)-5-(2-methylphenyl)pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(2-methylphenyl)pent-3-en-1-ol
PubChem CID117267923
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(Z)-5-(2-methylphenyl)pent-3-en-1-ol
SMILESCc1ccccc1C/C=C\CCO
InChIInChI=1S/C12H16O/c1-11-7-4-5-9-12(11)8-3-2-6-10-13/h2-5,7,9,13H,6,8,10H2,1H3/b3-2-
InChIKeyXFHNFVRXUNTAEU-IHWYPQMZSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-methylphenyl)pent-3-en-1-ol?
The IUPAC name of (Z)-5-(2-methylphenyl)pent-3-en-1-ol (CID 117267923) is (Z)-5-(2-methylphenyl)pent-3-en-1-ol.
What is the SMILES notation for (Z)-5-(2-methylphenyl)pent-3-en-1-ol?
The canonical SMILES for (Z)-5-(2-methylphenyl)pent-3-en-1-ol is Cc1ccccc1C/C=C\CCO.
What is the InChIKey of (Z)-5-(2-methylphenyl)pent-3-en-1-ol?
The InChIKey is XFHNFVRXUNTAEU-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H16O/c1-11-7-4-5-9-12(11)8-3-2-6-10-13/h2-5,7,9,13H,6,8,10H2,1H3/b3-2-.
What are the key properties of (Z)-5-(2-methylphenyl)pent-3-en-1-ol?
(Z)-5-(2-methylphenyl)pent-3-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-methylphenyl)pent-3-en-1-ol is sourced from PubChem (CID 117267923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).