4-phenylpentan-1-ol

C11H16O — CID 11355670

IUPAC4-phenylpentan-1-ol
SMILESCC(CCCO)c1ccccc1
InChIInChI=1S/C11H16O/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyIMUUTWZFQCAVRV-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.56
Rot. Bonds4

About 4-phenylpentan-1-ol

4-phenylpentan-1-ol (PubChem CID 11355670) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-phenylpentan-1-ol.

Molecular Properties

Compound Name4-phenylpentan-1-ol
PubChem CID11355670
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-phenylpentan-1-ol
SMILESCC(CCCO)c1ccccc1
InChIInChI=1S/C11H16O/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyIMUUTWZFQCAVRV-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Methyl-1-phenyl-2-propanol
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2-Phenyl-1-propanol
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CID 5368491

Frequently Asked Questions

What is the IUPAC name of 4-phenylpentan-1-ol?
The IUPAC name of 4-phenylpentan-1-ol (CID 11355670) is 4-phenylpentan-1-ol.
What is the SMILES notation for 4-phenylpentan-1-ol?
The canonical SMILES for 4-phenylpentan-1-ol is CC(CCCO)c1ccccc1.
What is the InChIKey of 4-phenylpentan-1-ol?
The InChIKey is IMUUTWZFQCAVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3.
What are the key properties of 4-phenylpentan-1-ol?
4-phenylpentan-1-ol has a molecular weight of 164.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpentan-1-ol is sourced from PubChem (CID 11355670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).