2-methyl-5-(4-phenylphenyl)pentanoic acid

C18H20O2 — CID 56631136

IUPAC2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCC(CCCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H20O2/c1-14(18(19)20)6-5-7-15-10-12-17(13-11-15)16-8-3-2-4-9-16/h2-4,8-14H,5-7H2,1H3,(H,19,20)
InChIKeyYLAJMJCYTNRDBI-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.40
Rot. Bonds6

About 2-methyl-5-(4-phenylphenyl)pentanoic acid

2-methyl-5-(4-phenylphenyl)pentanoic acid (PubChem CID 56631136) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(4-phenylphenyl)pentanoic acid
PubChem CID56631136
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCC(CCCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H20O2/c1-14(18(19)20)6-5-7-15-10-12-17(13-11-15)16-8-3-2-4-9-16/h2-4,8-14H,5-7H2,1H3,(H,19,20)
InChIKeyYLAJMJCYTNRDBI-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
CID 154249541
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
CID 59318450
2-methyl-4-phenylbutanoic acid
CID 66896591
3-methyl-6-phenylhexan-2-one
CID 59396975
5-(4-phenylphenyl)-2-phosphonopentanoic acid
CID 10065452
6-(4-phenylphenyl)hexan-3-ylphosphane
CID 90991744
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
4-[4-(4-methylhexyl)phenyl]benzoic acid
CID 19028475
2-methyl-6-[4-(pyrimidin-2-ylamino)phenyl]hexanoic acid
CID 143251064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 2-methyl-5-(4-phenylphenyl)pentanoic acid (CID 56631136) is 2-methyl-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 2-methyl-5-(4-phenylphenyl)pentanoic acid is CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is YLAJMJCYTNRDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(18(19)20)6-5-7-15-10-12-17(13-11-15)16-8-3-2-4-9-16/h2-4,8-14H,5-7H2,1H3,(H,19,20).
What are the key properties of 2-methyl-5-(4-phenylphenyl)pentanoic acid?
2-methyl-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 56631136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).