3-chloro-2-ethyl-4-phenylmethoxybenzoic acid

C16H15ClO3 — CID 67182822

IUPAC3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
SMILESCCc1c(C(=O)O)ccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C16H15ClO3/c1-2-12-13(16(18)19)8-9-14(15(12)17)20-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyBOONOUMOPZCWJA-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.18
Rot. Bonds5

About 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid

3-chloro-2-ethyl-4-phenylmethoxybenzoic acid (PubChem CID 67182822) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
PubChem CID67182822
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
SMILESCCc1c(C(=O)O)ccc(OCc2ccccc2)c1Cl
InChIInChI=1S/C16H15ClO3/c1-2-12-13(16(18)19)8-9-14(15(12)17)20-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyBOONOUMOPZCWJA-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-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid
CID 141171152
6-acetyl-2-chloro-3-phenylmethoxybenzonitrile
CID 91863645
6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320
4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
CID 146035386
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
CID 21468984
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid?
The IUPAC name of 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid (CID 67182822) is 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid?
The canonical SMILES for 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid is CCc1c(C(=O)O)ccc(OCc2ccccc2)c1Cl.
What is the InChIKey of 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid?
The InChIKey is BOONOUMOPZCWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-12-13(16(18)19)8-9-14(15(12)17)20-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid?
3-chloro-2-ethyl-4-phenylmethoxybenzoic 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 3-chloro-2-ethyl-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 67182822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).