5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid

C16H15ClO4 — CID 65339281

IUPAC5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(COc2ccc(Cl)cc2C)cc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-10-7-12(17)4-6-14(10)21-9-11-3-5-15(20-2)13(8-11)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLOTDNZQKDUOHBC-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.93
Rot. Bonds5

About 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid

5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid (PubChem CID 65339281) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
PubChem CID65339281
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(COc2ccc(Cl)cc2C)cc1C(=O)O
InChIInChI=1S/C16H15ClO4/c1-10-7-12(17)4-6-14(10)21-9-11-3-5-15(20-2)13(8-11)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLOTDNZQKDUOHBC-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

5-[(4-bromo-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339716
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 65340096
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339710
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63885169
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
4-[(2-bromo-4-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 106794003
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107881075

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid (CID 65339281) is 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid is COc1ccc(COc2ccc(Cl)cc2C)cc1C(=O)O.
What is the InChIKey of 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid?
The InChIKey is LOTDNZQKDUOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-10-7-12(17)4-6-14(10)21-9-11-3-5-15(20-2)13(8-11)16(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid?
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic 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 5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 65339281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).