4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid

C18H19ClO3 — CID 82051907

IUPAC4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid
SMILESCc1ccc(OCc2ccccc2Cl)c(CCCC(=O)O)c1
InChIInChI=1S/C18H19ClO3/c1-13-9-10-17(14(11-13)6-4-8-18(20)21)22-12-15-5-2-3-7-16(15)19/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,20,21)
InChIKeyMLKKWIFSYNPMAP-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.63
Rot. Bonds7

About 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid

4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid (PubChem CID 82051907) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid
PubChem CID82051907
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid
SMILESCc1ccc(OCc2ccccc2Cl)c(CCCC(=O)O)c1
InChIInChI=1S/C18H19ClO3/c1-13-9-10-17(14(11-13)6-4-8-18(20)21)22-12-15-5-2-3-7-16(15)19/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,20,21)
InChIKeyMLKKWIFSYNPMAP-UHFFFAOYSA-N
XLogP4.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326375
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 59786429
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 60801804
3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866319
2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465245
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
4-[2-[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoic acid
CID 22681232
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid?
The IUPAC name of 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid (CID 82051907) is 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid.
What is the SMILES notation for 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid?
The canonical SMILES for 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid is Cc1ccc(OCc2ccccc2Cl)c(CCCC(=O)O)c1.
What is the InChIKey of 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid?
The InChIKey is MLKKWIFSYNPMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-13-9-10-17(14(11-13)6-4-8-18(20)21)22-12-15-5-2-3-7-16(15)19/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,20,21).
What are the key properties of 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid?
4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid has a molecular weight of 318.80 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]butanoic acid is sourced from PubChem (CID 82051907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).