(2-chloro-6-methoxyphenyl) propanoate

C10H11ClO3 — CID 67392608

IUPAC(2-chloro-6-methoxyphenyl) propanoate
SMILESCCC(=O)Oc1c(Cl)cccc1OC
InChIInChI=1S/C10H11ClO3/c1-3-9(12)14-10-7(11)5-4-6-8(10)13-2/h4-6H,3H2,1-2H3
InChIKeyUULZJBROACXLCZ-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.66
Rot. Bonds3

About (2-chloro-6-methoxyphenyl) propanoate

(2-chloro-6-methoxyphenyl) propanoate (PubChem CID 67392608) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl) propanoate.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl) propanoate
PubChem CID67392608
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(2-chloro-6-methoxyphenyl) propanoate
SMILESCCC(=O)Oc1c(Cl)cccc1OC
InChIInChI=1S/C10H11ClO3/c1-3-9(12)14-10-7(11)5-4-6-8(10)13-2/h4-6H,3H2,1-2H3
InChIKeyUULZJBROACXLCZ-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
[3-chloro-2-(3-methylbutanoyloxy)phenyl] 3-methylbutanoate
CID 90031619
(2-butanoyloxy-3-methoxyphenyl) butanoate
CID 140675737
(3-chloro-2-nonanoyloxyphenyl) nonanoate
CID 140675728
5-O-(2-chloro-6-fluorophenyl) 1-O-(2-methoxyphenyl) pentanedioate
CID 91712401
[3-(2,6-dimethoxyphenyl)phenyl] propanoate
CID 142465207
(3-ethoxy-2-propanoyloxyphenyl) propanoate
CID 90031987
[3-(2,3-dimethoxyphenyl)phenyl] propanoate
CID 142465184
(3-methoxy-2-pentanoyloxyphenyl) pentanoate
CID 90032115
(2,6-dichlorophenyl) N-(2,6-dimethoxybenzoyl)carbamate
CID 2800092
(3-chloro-4,5-dimethoxyphenyl) propanoate
CID 130431285

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl) propanoate?
The IUPAC name of (2-chloro-6-methoxyphenyl) propanoate (CID 67392608) is (2-chloro-6-methoxyphenyl) propanoate.
What is the SMILES notation for (2-chloro-6-methoxyphenyl) propanoate?
The canonical SMILES for (2-chloro-6-methoxyphenyl) propanoate is CCC(=O)Oc1c(Cl)cccc1OC.
What is the InChIKey of (2-chloro-6-methoxyphenyl) propanoate?
The InChIKey is UULZJBROACXLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-3-9(12)14-10-7(11)5-4-6-8(10)13-2/h4-6H,3H2,1-2H3.
What are the key properties of (2-chloro-6-methoxyphenyl) propanoate?
(2-chloro-6-methoxyphenyl) propanoate has a molecular weight of 214.65 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl) propanoate is sourced from PubChem (CID 67392608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).