4-chloro-2-(2-propoxyphenoxy)benzoic acid

C16H15ClO4 — CID 63082699

IUPAC4-chloro-2-(2-propoxyphenoxy)benzoic acid
SMILESCCCOc1ccccc1Oc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-2-9-20-13-5-3-4-6-14(13)21-15-10-11(17)7-8-12(15)16(18)19/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyKPDOARZNAMHAIG-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.62
Rot. Bonds6

About 4-chloro-2-(2-propoxyphenoxy)benzoic acid

4-chloro-2-(2-propoxyphenoxy)benzoic acid (PubChem CID 63082699) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-2-(2-propoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-propoxyphenoxy)benzoic acid
PubChem CID63082699
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name4-chloro-2-(2-propoxyphenoxy)benzoic acid
SMILESCCCOc1ccccc1Oc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-2-9-20-13-5-3-4-6-14(13)21-15-10-11(17)7-8-12(15)16(18)19/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyKPDOARZNAMHAIG-UHFFFAOYSA-N
XLogP4.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427
4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63681354
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474
2-[2-(2-butoxy-4-chlorophenyl)phenyl]benzoic acid
CID 71053481
1-[4-bromo-2-(2-propoxyphenoxy)phenyl]ethanone
CID 82956146
2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid
CID 43532238
4-chloro-2-(2,3-difluorophenoxy)benzoic acid
CID 63082872
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-pentoxybenzoic acid;hydrochloride
CID 70416265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-propoxyphenoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(2-propoxyphenoxy)benzoic acid (CID 63082699) is 4-chloro-2-(2-propoxyphenoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-propoxyphenoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-propoxyphenoxy)benzoic acid is CCCOc1ccccc1Oc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2-propoxyphenoxy)benzoic acid?
The InChIKey is KPDOARZNAMHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-2-9-20-13-5-3-4-6-14(13)21-15-10-11(17)7-8-12(15)16(18)19/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-(2-propoxyphenoxy)benzoic acid?
4-chloro-2-(2-propoxyphenoxy)benzoic acid has a molecular weight of 306.75 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-propoxyphenoxy)benzoic acid is sourced from PubChem (CID 63082699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).