1-phenylhex-5-en-3-ol

C12H16O — CID 10103699

IUPAC1-phenylhex-5-en-3-ol
SMILESC=CCC(O)CCc1ccccc1
InChIInChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2
InChIKeyAYQFIGASVMPYQZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.56
Rot. Bonds5

About 1-phenylhex-5-en-3-ol

1-phenylhex-5-en-3-ol (PubChem CID 10103699) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name1-phenylhex-5-en-3-ol
PubChem CID10103699
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-phenylhex-5-en-3-ol
SMILESC=CCC(O)CCc1ccccc1
InChIInChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2
InChIKeyAYQFIGASVMPYQZ-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.56
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 1-phenylhex-5-en-3-ol?
The IUPAC name of 1-phenylhex-5-en-3-ol (CID 10103699) is 1-phenylhex-5-en-3-ol.
What is the SMILES notation for 1-phenylhex-5-en-3-ol?
The canonical SMILES for 1-phenylhex-5-en-3-ol is C=CCC(O)CCc1ccccc1.
What is the InChIKey of 1-phenylhex-5-en-3-ol?
The InChIKey is AYQFIGASVMPYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2.
What are the key properties of 1-phenylhex-5-en-3-ol?
1-phenylhex-5-en-3-ol has a molecular weight of 176.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylhex-5-en-3-ol is sourced from PubChem (CID 10103699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).