(2-butoxyphenyl)methanol

C11H16O2 — CID 23014

IUPAC(2-butoxyphenyl)methanol
SMILESCCCCOc1ccccc1CO
InChIInChI=1S/C11H16O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,12H,2-3,8-9H2,1H3
InChIKeyXHMKGDUAGDFSHL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.36
Rot. Bonds5

About (2-butoxyphenyl)methanol

(2-butoxyphenyl)methanol (PubChem CID 23014) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2-butoxyphenyl)methanol.

Molecular Properties

Compound Name(2-butoxyphenyl)methanol
PubChem CID23014
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2-butoxyphenyl)methanol
SMILESCCCCOc1ccccc1CO
InChIInChI=1S/C11H16O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,12H,2-3,8-9H2,1H3
InChIKeyXHMKGDUAGDFSHL-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-butoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-butoxyphenyl)methanol?
The IUPAC name of (2-butoxyphenyl)methanol (CID 23014) is (2-butoxyphenyl)methanol.
What is the SMILES notation for (2-butoxyphenyl)methanol?
The canonical SMILES for (2-butoxyphenyl)methanol is CCCCOc1ccccc1CO.
What is the InChIKey of (2-butoxyphenyl)methanol?
The InChIKey is XHMKGDUAGDFSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of (2-butoxyphenyl)methanol?
(2-butoxyphenyl)methanol has a molecular weight of 180.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxyphenyl)methanol is sourced from PubChem (CID 23014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).