2-phenylpentane-2,4-diol

C11H16O2 — CID 70479425

IUPAC2-phenylpentane-2,4-diol
SMILESCC(O)CC(C)(O)c1ccccc1
InChIInChI=1S/C11H16O2/c1-9(12)8-11(2,13)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3
InChIKeyVZPJXQRVUVUITE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.66
Rot. Bonds3

About 2-phenylpentane-2,4-diol

2-phenylpentane-2,4-diol (PubChem CID 70479425) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-phenylpentane-2,4-diol.

Molecular Properties

Compound Name2-phenylpentane-2,4-diol
PubChem CID70479425
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-phenylpentane-2,4-diol
SMILESCC(O)CC(C)(O)c1ccccc1
InChIInChI=1S/C11H16O2/c1-9(12)8-11(2,13)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3
InChIKeyVZPJXQRVUVUITE-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpentane-2,4-diol?
The IUPAC name of 2-phenylpentane-2,4-diol (CID 70479425) is 2-phenylpentane-2,4-diol.
What is the SMILES notation for 2-phenylpentane-2,4-diol?
The canonical SMILES for 2-phenylpentane-2,4-diol is CC(O)CC(C)(O)c1ccccc1.
What is the InChIKey of 2-phenylpentane-2,4-diol?
The InChIKey is VZPJXQRVUVUITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(12)8-11(2,13)10-6-4-3-5-7-10/h3-7,9,12-13H,8H2,1-2H3.
What are the key properties of 2-phenylpentane-2,4-diol?
2-phenylpentane-2,4-diol has a molecular weight of 180.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpentane-2,4-diol is sourced from PubChem (CID 70479425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).