2-Phenoxy-1-propanol

C9H12O2 — CID 20129

IUPAC2-phenoxypropan-1-ol
SMILESCC(CO)OC1=CC=CC=C1
InChIInChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyLOJHHQNEBFCTQK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.60
Rot. Bonds3

About 2-Phenoxy-1-propanol

2-Phenoxy-1-propanol (PubChem CID 20129) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-phenoxypropan-1-ol.

Molecular Properties

Compound Name2-Phenoxy-1-propanol
PubChem CID20129
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-phenoxypropan-1-ol
SMILESCC(CO)OC1=CC=CC=C1
InChIInChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyLOJHHQNEBFCTQK-UHFFFAOYSA-N
XLogP1.60
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity97

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-Phenoxy-1-propanol with MolForge

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

Launch Full Analysis

Related Compounds

Phenoxyethanol
CID 31236
Guaiacol
CID 460
Mephenesin
CID 4059
Guaifenesin
CID 3516
Phenyl glycidyl ether
CID 31217
Phenoxyacetic Acid
CID 19188
1-Phenoxy-2-propanol
CID 92839
4-Ethoxyphenol
CID 12150
Chlorphenesin
CID 7697
2-Ethoxyphenol
CID 66755
2-(4-Methoxyphenoxy)propanoic acid
CID 151199
Phenetole
CID 7674

Frequently Asked Questions

What is the IUPAC name of 2-Phenoxy-1-propanol?
The IUPAC name of 2-Phenoxy-1-propanol (CID 20129) is 2-phenoxypropan-1-ol.
What is the SMILES notation for 2-Phenoxy-1-propanol?
The canonical SMILES for 2-Phenoxy-1-propanol is CC(CO)OC1=CC=CC=C1.
What is the InChIKey of 2-Phenoxy-1-propanol?
The InChIKey is LOJHHQNEBFCTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 2-Phenoxy-1-propanol?
2-Phenoxy-1-propanol has a molecular weight of 152.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Phenoxy-1-propanol is sourced from PubChem (CID 20129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).