2-methyl-4-phenylpentan-1-ol

C12H18O — CID 3021997

IUPAC2-methyl-4-phenylpentan-1-ol
SMILESCC(CO)CC(C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeySXGYZCMGVZKIPJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-4-phenylpentan-1-ol

2-methyl-4-phenylpentan-1-ol (PubChem CID 3021997) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-4-phenylpentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-phenylpentan-1-ol
PubChem CID3021997
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2-methyl-4-phenylpentan-1-ol
SMILESCC(CO)CC(C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeySXGYZCMGVZKIPJ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylpentan-1-ol?
The IUPAC name of 2-methyl-4-phenylpentan-1-ol (CID 3021997) is 2-methyl-4-phenylpentan-1-ol.
What is the SMILES notation for 2-methyl-4-phenylpentan-1-ol?
The canonical SMILES for 2-methyl-4-phenylpentan-1-ol is CC(CO)CC(C)c1ccccc1.
What is the InChIKey of 2-methyl-4-phenylpentan-1-ol?
The InChIKey is SXGYZCMGVZKIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-phenylpentan-1-ol?
2-methyl-4-phenylpentan-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylpentan-1-ol is sourced from PubChem (CID 3021997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).