(4-propoxyphenyl)methyl acetate

C12H16O3 — CID 150263336

IUPAC(4-propoxyphenyl)methyl acetate
SMILESCCCOc1ccc(COC(C)=O)cc1
InChIInChI=1S/C12H16O3/c1-3-8-14-12-6-4-11(5-7-12)9-15-10(2)13/h4-7H,3,8-9H2,1-2H3
InChIKeyGBZXSMHBKJVPMA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.54
Rot. Bonds5

About (4-propoxyphenyl)methyl acetate

(4-propoxyphenyl)methyl acetate (PubChem CID 150263336) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-propoxyphenyl)methyl acetate.

Molecular Properties

Compound Name(4-propoxyphenyl)methyl acetate
PubChem CID150263336
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(4-propoxyphenyl)methyl acetate
SMILESCCCOc1ccc(COC(C)=O)cc1
InChIInChI=1S/C12H16O3/c1-3-8-14-12-6-4-11(5-7-12)9-15-10(2)13/h4-7H,3,8-9H2,1-2H3
InChIKeyGBZXSMHBKJVPMA-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-propoxyphenyl)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

[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate
CID 174570174
bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584
2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
CID 56998010
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
(4-nonoxyphenyl)methyl carbamate
CID 154021041
benzyl acetate;butyl acetate
CID 158391193
(3-butoxy-5-hydroxyphenyl)methyl acetate
CID 150583952
4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide
CID 75396537
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
[4-[[tert-butyl(dimethyl)-λ4-sulfanyl]methoxy]phenyl]methyl acetate
CID 123402714
[4-(1-hydroxyethenoxy)phenyl]methyl acetate
CID 59935011

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)methyl acetate?
The IUPAC name of (4-propoxyphenyl)methyl acetate (CID 150263336) is (4-propoxyphenyl)methyl acetate.
What is the SMILES notation for (4-propoxyphenyl)methyl acetate?
The canonical SMILES for (4-propoxyphenyl)methyl acetate is CCCOc1ccc(COC(C)=O)cc1.
What is the InChIKey of (4-propoxyphenyl)methyl acetate?
The InChIKey is GBZXSMHBKJVPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-8-14-12-6-4-11(5-7-12)9-15-10(2)13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of (4-propoxyphenyl)methyl acetate?
(4-propoxyphenyl)methyl acetate has a molecular weight of 208.26 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)methyl acetate is sourced from PubChem (CID 150263336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).