2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid

C18H19ClO2 — CID 63402472

IUPAC2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C18H19ClO2/c19-17-12-5-4-10-15(17)13-16(18(20)21)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12,16H,6,9,11,13H2,(H,20,21)
InChIKeyRIEHQZXLYRFXTC-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.61
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid

2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid (PubChem CID 63402472) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
PubChem CID63402472
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C18H19ClO2/c19-17-12-5-4-10-15(17)13-16(18(20)21)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12,16H,6,9,11,13H2,(H,20,21)
InChIKeyRIEHQZXLYRFXTC-UHFFFAOYSA-N
XLogP4.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]octanoic acid
CID 60793381
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
1-chloro-2-(2-chloro-5-phenylpentyl)benzene
CID 63518283
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
CID 103410965
2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089
2-[(2-chlorophenyl)methyl]-4-ethoxybutanoic acid
CID 60794360
2-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)propanoic acid
CID 60794085
2-[(2-chlorophenyl)methyl]-4-propoxybutanoic acid
CID 106454854
(2R,4S)-2-amino-4-[(2-chlorophenyl)methyl]pentanedioic acid
CID 10880215
2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid
CID 79418256
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid (CID 63402472) is 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid is O=C(O)C(CCCc1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid?
The InChIKey is RIEHQZXLYRFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c19-17-12-5-4-10-15(17)13-16(18(20)21)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12,16H,6,9,11,13H2,(H,20,21).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid?
2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid has a molecular weight of 302.80 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid is sourced from PubChem (CID 63402472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).