2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid

C16H15ClO3 — CID 43473200

IUPAC2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
SMILESCCc1cc(OCc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C16H15ClO3/c1-2-11-9-13(7-8-15(11)17)20-10-12-5-3-4-6-14(12)16(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyHHUAWJSMUPSEJO-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.18
Rot. Bonds5

About 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid

2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid (PubChem CID 43473200) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
PubChem CID43473200
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
SMILESCCc1cc(OCc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C16H15ClO3/c1-2-11-9-13(7-8-15(11)17)20-10-12-5-3-4-6-14(12)16(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyHHUAWJSMUPSEJO-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]boronic acid
CID 63457430
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567105
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid?
The IUPAC name of 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid (CID 43473200) is 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid?
The canonical SMILES for 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid is CCc1cc(OCc2ccccc2C(=O)O)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid?
The InChIKey is HHUAWJSMUPSEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-11-9-13(7-8-15(11)17)20-10-12-5-3-4-6-14(12)16(18)19/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid?
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 43473200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).