1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one

C13H18O2 — CID 70506977

IUPAC1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one
SMILESCCCc1cccc(CO)c1CC(C)=O
InChIInChI=1S/C13H18O2/c1-3-5-11-6-4-7-12(9-14)13(11)8-10(2)15/h4,6-7,14H,3,5,8-9H2,1-2H3
InChIKeyGISOZDGESKLFDX-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one

1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one (PubChem CID 70506977) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one
PubChem CID70506977
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one
SMILESCCCc1cccc(CO)c1CC(C)=O
InChIInChI=1S/C13H18O2/c1-3-5-11-6-4-7-12(9-14)13(11)8-10(2)15/h4,6-7,14H,3,5,8-9H2,1-2H3
InChIKeyGISOZDGESKLFDX-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one 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

[2-(hydroxymethyl)-3-propylphenyl]methanol
CID 118644202
2-hydroxy-2-[3-(hydroxymethyl)-2-(2-oxopropyl)phenyl]acetic acid
CID 134657368
1-[3-(hydroxymethyl)-2-sulfanylphenyl]propan-2-one
CID 130870445
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
CID 66773183
CID 66773183
2-ethyl-N-methyl-3-propylbenzamide
CID 175322097
(2-propylphenyl)methyl acetate
CID 18363688
1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 175493914
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
2-(2-propylphenyl)acetic acid
CID 46897017
1-(4-propylphenyl)propan-2-one
CID 82490574

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one?
The IUPAC name of 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one (CID 70506977) is 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one is CCCc1cccc(CO)c1CC(C)=O.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one?
The InChIKey is GISOZDGESKLFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-11-6-4-7-12(9-14)13(11)8-10(2)15/h4,6-7,14H,3,5,8-9H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one?
1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-propylphenyl]propan-2-one is sourced from PubChem (CID 70506977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).