2-methyl-1-phenylpentan-2-ol

C12H18O — CID 4657540

IUPAC2-methyl-1-phenylpentan-2-ol
SMILESCCCC(C)(O)Cc1ccccc1
InChIInChI=1S/C12H18O/c1-3-9-12(2,13)10-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyMJHGBEOFMCDYKW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-1-phenylpentan-2-ol

2-methyl-1-phenylpentan-2-ol (PubChem CID 4657540) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-1-phenylpentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-phenylpentan-2-ol
PubChem CID4657540
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2-methyl-1-phenylpentan-2-ol
SMILESCCCC(C)(O)Cc1ccccc1
InChIInChI=1S/C12H18O/c1-3-9-12(2,13)10-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyMJHGBEOFMCDYKW-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpentan-2-ol?
The IUPAC name of 2-methyl-1-phenylpentan-2-ol (CID 4657540) is 2-methyl-1-phenylpentan-2-ol.
What is the SMILES notation for 2-methyl-1-phenylpentan-2-ol?
The canonical SMILES for 2-methyl-1-phenylpentan-2-ol is CCCC(C)(O)Cc1ccccc1.
What is the InChIKey of 2-methyl-1-phenylpentan-2-ol?
The InChIKey is MJHGBEOFMCDYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-9-12(2,13)10-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3.
What are the key properties of 2-methyl-1-phenylpentan-2-ol?
2-methyl-1-phenylpentan-2-ol has a molecular weight of 178.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpentan-2-ol is sourced from PubChem (CID 4657540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).