2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid

C16H15ClO3 — CID 82051602

IUPAC2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-11-8-13(9-16(18)19)4-7-15(11)20-10-12-2-5-14(17)6-3-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyLQXAHYGVPNKOHX-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid

2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid (PubChem CID 82051602) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
PubChem CID82051602
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-11-8-13(9-16(18)19)4-7-15(11)20-10-12-2-5-14(17)6-3-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyLQXAHYGVPNKOHX-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
3-[(4-chlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311750
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
3-[[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]methylamino]benzoic acid
CID 155524951
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281
2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
CID 123385522

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid (CID 82051602) is 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid is Cc1cc(CC(=O)O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid?
The InChIKey is LQXAHYGVPNKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-8-13(9-16(18)19)4-7-15(11)20-10-12-2-5-14(17)6-3-12/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid?
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid has a molecular weight of 290.75 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid is sourced from PubChem (CID 82051602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).