2-phenylpropan-1-ol

C9H12O — CID 14295

IUPAC2-phenylpropan-1-ol
SMILESCC(CO)c1ccccc1
InChIInChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyRNDNSYIPLPAXAZ-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.78
Rot. Bonds2

About 2-phenylpropan-1-ol

2-phenylpropan-1-ol (PubChem CID 14295) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-phenylpropan-1-ol
PubChem CID14295
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-phenylpropan-1-ol
SMILESCC(CO)c1ccccc1
InChIInChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyRNDNSYIPLPAXAZ-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-1-ol?
The IUPAC name of 2-phenylpropan-1-ol (CID 14295) is 2-phenylpropan-1-ol.
What is the SMILES notation for 2-phenylpropan-1-ol?
The canonical SMILES for 2-phenylpropan-1-ol is CC(CO)c1ccccc1.
What is the InChIKey of 2-phenylpropan-1-ol?
The InChIKey is RNDNSYIPLPAXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 2-phenylpropan-1-ol?
2-phenylpropan-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-1-ol is sourced from PubChem (CID 14295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).