2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid

C16H15ClO4 — CID 60711590

IUPAC2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
SMILESCOc1ccc(Cl)cc1COc1ccc(C)cc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-10-3-5-15(13(7-10)16(18)19)21-9-11-8-12(17)4-6-14(11)20-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyGXGBZJGLUCHCOZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.93
Rot. Bonds5

About 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid

2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid (PubChem CID 60711590) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
PubChem CID60711590
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
SMILESCOc1ccc(Cl)cc1COc1ccc(C)cc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-10-3-5-15(13(7-10)16(18)19)21-9-11-8-12(17)4-6-14(11)20-2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyGXGBZJGLUCHCOZ-UHFFFAOYSA-N
XLogP3.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
CID 45447311
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
5-bromo-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 65317579
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid (CID 60711590) is 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid is COc1ccc(Cl)cc1COc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid?
The InChIKey is GXGBZJGLUCHCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-10-3-5-15(13(7-10)16(18)19)21-9-11-8-12(17)4-6-14(11)20-2/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid?
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid is sourced from PubChem (CID 60711590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).