2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid

C16H15ClO2 — CID 59987709

IUPAC2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1Cc1ccccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11(16(18)19)14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyMHCTTYIFTJEKLS-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid

2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid (PubChem CID 59987709) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
PubChem CID59987709
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1Cc1ccccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11(16(18)19)14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyMHCTTYIFTJEKLS-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid (CID 59987709) is 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccccc1Cc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid?
The InChIKey is MHCTTYIFTJEKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11(16(18)19)14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid?
2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid has a molecular weight of 274.75 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 59987709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).