ethyl 2-chloro-4-propoxybenzoate

C12H15ClO3 — CID 82551799

IUPACethyl 2-chloro-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC)c(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-3-7-16-9-5-6-10(11(13)8-9)12(14)15-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFFJKVQNHBHVHGY-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.31
Rot. Bonds5

About ethyl 2-chloro-4-propoxybenzoate

ethyl 2-chloro-4-propoxybenzoate (PubChem CID 82551799) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 2-chloro-4-propoxybenzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-propoxybenzoate
PubChem CID82551799
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-chloro-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC)c(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-3-7-16-9-5-6-10(11(13)8-9)12(14)15-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFFJKVQNHBHVHGY-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
ethyl 4-decoxy-2-hexoxybenzoate
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2-chloro-1-ethyl-4-propoxybenzene
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ethyl 2-chloro-4-(propylamino)benzoate
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ethyl 3-chloronaphthalene-2-carboxylate
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ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 4-acetyl-3-chlorobenzoate
CID 163253641
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-propoxybenzoate?
The IUPAC name of ethyl 2-chloro-4-propoxybenzoate (CID 82551799) is ethyl 2-chloro-4-propoxybenzoate.
What is the SMILES notation for ethyl 2-chloro-4-propoxybenzoate?
The canonical SMILES for ethyl 2-chloro-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC)c(Cl)c1.
What is the InChIKey of ethyl 2-chloro-4-propoxybenzoate?
The InChIKey is FFJKVQNHBHVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-7-16-9-5-6-10(11(13)8-9)12(14)15-4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-chloro-4-propoxybenzoate?
ethyl 2-chloro-4-propoxybenzoate has a molecular weight of 242.70 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-propoxybenzoate is sourced from PubChem (CID 82551799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).