4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid

C18H20O2 — CID 138459303

IUPAC4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
SMILESCc1ccccc1Cc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-14-5-2-3-7-17(14)13-16-11-9-15(10-12-16)6-4-8-18(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,19,20)
InChIKeyVEWYKZWKYLTYCU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.99
Rot. Bonds6

About 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid

4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid (PubChem CID 138459303) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
PubChem CID138459303
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
SMILESCc1ccccc1Cc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-14-5-2-3-7-17(14)13-16-11-9-15(10-12-16)6-4-8-18(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,19,20)
InChIKeyVEWYKZWKYLTYCU-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide
CID 166850502
2-(2-methylphenyl)acetic acid
CID 67440217
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
5-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 103256373
3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 75482470
4-(4-diphenylphosphanylphenyl)butanoic acid
CID 19809583
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
15-phenylpentadecanoic acid
CID 2737151
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
4-(2-methylphenyl)butanamide
CID 22103596

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid (CID 138459303) is 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid is Cc1ccccc1Cc1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid?
The InChIKey is VEWYKZWKYLTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14-5-2-3-7-17(14)13-16-11-9-15(10-12-16)6-4-8-18(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,19,20).
What are the key properties of 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid?
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid is sourced from PubChem (CID 138459303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).