4-(2-methylphenyl)butan-1-ol

C11H16O — CID 14863

IUPAC4-(2-methylphenyl)butan-1-ol
SMILESCc1ccccc1CCCCO
InChIInChI=1S/C11H16O/c1-10-6-2-3-7-11(10)8-4-5-9-12/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyDWZBSOVYCROKJR-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.31
Rot. Bonds4

About 4-(2-methylphenyl)butan-1-ol

4-(2-methylphenyl)butan-1-ol (PubChem CID 14863) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(2-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(2-methylphenyl)butan-1-ol
PubChem CID14863
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-(2-methylphenyl)butan-1-ol
SMILESCc1ccccc1CCCCO
InChIInChI=1S/C11H16O/c1-10-6-2-3-7-11(10)8-4-5-9-12/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyDWZBSOVYCROKJR-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)butan-1-ol?
The IUPAC name of 4-(2-methylphenyl)butan-1-ol (CID 14863) is 4-(2-methylphenyl)butan-1-ol.
What is the SMILES notation for 4-(2-methylphenyl)butan-1-ol?
The canonical SMILES for 4-(2-methylphenyl)butan-1-ol is Cc1ccccc1CCCCO.
What is the InChIKey of 4-(2-methylphenyl)butan-1-ol?
The InChIKey is DWZBSOVYCROKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-10-6-2-3-7-11(10)8-4-5-9-12/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of 4-(2-methylphenyl)butan-1-ol?
4-(2-methylphenyl)butan-1-ol has a molecular weight of 164.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)butan-1-ol is sourced from PubChem (CID 14863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).