2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate

C11H13ClO4 — CID 116862902

IUPAC2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate
SMILESCOc1cc(C)c(C(=O)OCCO)cc1Cl
InChIInChI=1S/C11H13ClO4/c1-7-5-10(15-2)9(12)6-8(7)11(14)16-4-3-13/h5-6,13H,3-4H2,1-2H3
InChIKeySBZOKOASEIHEIX-UHFFFAOYSA-N
MW244.67 g/mol
LogP1.81
Rot. Bonds4

About 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate

2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate (PubChem CID 116862902) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate
PubChem CID116862902
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate
SMILESCOc1cc(C)c(C(=O)OCCO)cc1Cl
InChIInChI=1S/C11H13ClO4/c1-7-5-10(15-2)9(12)6-8(7)11(14)16-4-3-13/h5-6,13H,3-4H2,1-2H3
InChIKeySBZOKOASEIHEIX-UHFFFAOYSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 2,4,5-trimethoxybenzoate
CID 35514388
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116916588
5-chloro-4-methoxy-2-methylbenzenecarbothioamide
CID 82492980
2-(aminomethyl)-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116923405
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
1-(5-chloro-4-methoxy-2-methylphenyl)-2-(methylaminomethyl)butan-1-one
CID 116923895
2-hydroxyethyl 4-amino-2-chlorobenzoate
CID 61322216
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate?
The IUPAC name of 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate (CID 116862902) is 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate.
What is the SMILES notation for 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate?
The canonical SMILES for 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate is COc1cc(C)c(C(=O)OCCO)cc1Cl.
What is the InChIKey of 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate?
The InChIKey is SBZOKOASEIHEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-7-5-10(15-2)9(12)6-8(7)11(14)16-4-3-13/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate?
2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate has a molecular weight of 244.67 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate is sourced from PubChem (CID 116862902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).