2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid

C16H15ClO3 — CID 106861515

IUPAC2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(COc2cc(C)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-10-3-5-12(14(17)7-10)9-20-15-8-11(2)4-6-13(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXUDLPIMUICSJFW-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.23
Rot. Bonds4

About 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid

2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid (PubChem CID 106861515) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
PubChem CID106861515
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(COc2cc(C)ccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-10-3-5-12(14(17)7-10)9-20-15-8-11(2)4-6-13(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXUDLPIMUICSJFW-UHFFFAOYSA-N
XLogP4.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
2-[(5-bromo-2-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61379280
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379041
4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102663354
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid (CID 106861515) is 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid is Cc1ccc(COc2cc(C)ccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid?
The InChIKey is XUDLPIMUICSJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10-3-5-12(14(17)7-10)9-20-15-8-11(2)4-6-13(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid?
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid is sourced from PubChem (CID 106861515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).