5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid

C15H13ClO3 — CID 59760044

IUPAC5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
SMILESCc1ccc(OCc2cccc(Cl)c2)cc1C(=O)O
InChIInChI=1S/C15H13ClO3/c1-10-5-6-13(8-14(10)15(17)18)19-9-11-3-2-4-12(16)7-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXYWOHXNAXJSTJD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.93
Rot. Bonds4

About 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid

5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid (PubChem CID 59760044) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
PubChem CID59760044
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
SMILESCc1ccc(OCc2cccc(Cl)c2)cc1C(=O)O
InChIInChI=1S/C15H13ClO3/c1-10-5-6-13(8-14(10)15(17)18)19-9-11-3-2-4-12(16)7-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyXYWOHXNAXJSTJD-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-trifluoroboranuide
CID 83137066
2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
CID 24952548
methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate
CID 63552597
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
ethane;4-phenylmethoxyphthalic acid
CID 90802135
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
CID 119773656

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid?
The IUPAC name of 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid (CID 59760044) is 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid is Cc1ccc(OCc2cccc(Cl)c2)cc1C(=O)O.
What is the InChIKey of 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid?
The InChIKey is XYWOHXNAXJSTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10-5-6-13(8-14(10)15(17)18)19-9-11-3-2-4-12(16)7-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid?
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid is sourced from PubChem (CID 59760044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).