4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid

C16H15ClO5 — CID 59303396

IUPAC4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClO5/c1-20-13-7-11(16(18)19)8-14(21-2)15(13)22-9-10-4-3-5-12(17)6-10/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyBJYITOYSISBTJK-UHFFFAOYSA-N
MW322.74 g/mol
LogP3.63
Rot. Bonds6

About 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid

4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid (PubChem CID 59303396) has the molecular formula C16H15ClO5 and a molecular weight of 322.74 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
PubChem CID59303396
Molecular FormulaC16H15ClO5
Molecular Weight322.74 g/mol
Exact Mass322.06
IUPAC Name4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClO5/c1-20-13-7-11(16(18)19)8-14(21-2)15(13)22-9-10-4-3-5-12(17)6-10/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyBJYITOYSISBTJK-UHFFFAOYSA-N
XLogP3.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid
CID 142600538
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxybenzoic acid
CID 91683343
4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]benzoic acid
CID 66543621
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
3-[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155779696
(2S)-2-amino-2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]acetic acid
CID 66513682

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid (CID 59303396) is 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1OCc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid?
The InChIKey is BJYITOYSISBTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO5/c1-20-13-7-11(16(18)19)8-14(21-2)15(13)22-9-10-4-3-5-12(17)6-10/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid?
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid has a molecular weight of 322.74 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 59303396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).