(2-propylphenyl)methyl acetate

C12H16O2 — CID 18363688

IUPAC(2-propylphenyl)methyl acetate
SMILESCCCc1ccccc1COC(C)=O
InChIInChI=1S/C12H16O2/c1-3-6-11-7-4-5-8-12(11)9-14-10(2)13/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyGIPWUJLJHGHBNW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.70
Rot. Bonds4

About (2-propylphenyl)methyl acetate

(2-propylphenyl)methyl acetate (PubChem CID 18363688) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2-propylphenyl)methyl acetate.

Molecular Properties

Compound Name(2-propylphenyl)methyl acetate
PubChem CID18363688
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2-propylphenyl)methyl acetate
SMILESCCCc1ccccc1COC(C)=O
InChIInChI=1S/C12H16O2/c1-3-6-11-7-4-5-8-12(11)9-14-10(2)13/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyGIPWUJLJHGHBNW-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-propylphenyl)methyl acetate 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-(bromomethyl)phenyl]methyl acetate
CID 14921817
(4-formyl-2-propylphenyl)methyl acetate
CID 87059825
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(2-sulfanylphenyl)methyl acetate
CID 118370744
(2-acetyloxyphenyl)methyl acetate
CID 10889107
2-(2-propylphenyl)acetic acid
CID 46897017
bis(2-propylphenyl) carbonate
CID 66781525
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
2-(acetyloxymethyl)benzenesulfonic acid
CID 154193734
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
ethane;N-(2-propylphenyl)acetamide
CID 142804217
bis[(2-nonylphenyl)methyl] benzene-1,2-dicarboxylate
CID 66626285

Frequently Asked Questions

What is the IUPAC name of (2-propylphenyl)methyl acetate?
The IUPAC name of (2-propylphenyl)methyl acetate (CID 18363688) is (2-propylphenyl)methyl acetate.
What is the SMILES notation for (2-propylphenyl)methyl acetate?
The canonical SMILES for (2-propylphenyl)methyl acetate is CCCc1ccccc1COC(C)=O.
What is the InChIKey of (2-propylphenyl)methyl acetate?
The InChIKey is GIPWUJLJHGHBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-6-11-7-4-5-8-12(11)9-14-10(2)13/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of (2-propylphenyl)methyl acetate?
(2-propylphenyl)methyl acetate has a molecular weight of 192.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylphenyl)methyl acetate is sourced from PubChem (CID 18363688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).