5-(4-cyclohexylphenyl)-3-methylpentanoic acid

C18H26O2 — CID 63536343

IUPAC5-(4-cyclohexylphenyl)-3-methylpentanoic acid
SMILESCC(CCc1ccc(C2CCCCC2)cc1)CC(=O)O
InChIInChI=1S/C18H26O2/c1-14(13-18(19)20)7-8-15-9-11-17(12-10-15)16-5-3-2-4-6-16/h9-12,14,16H,2-8,13H2,1H3,(H,19,20)
InChIKeyBTRGYALGYPQECX-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.78
Rot. Bonds6

About 5-(4-cyclohexylphenyl)-3-methylpentanoic acid

5-(4-cyclohexylphenyl)-3-methylpentanoic acid (PubChem CID 63536343) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-3-methylpentanoic acid
PubChem CID63536343
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name5-(4-cyclohexylphenyl)-3-methylpentanoic acid
SMILESCC(CCc1ccc(C2CCCCC2)cc1)CC(=O)O
InChIInChI=1S/C18H26O2/c1-14(13-18(19)20)7-8-15-9-11-17(12-10-15)16-5-3-2-4-6-16/h9-12,14,16H,2-8,13H2,1H3,(H,19,20)
InChIKeyBTRGYALGYPQECX-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
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3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 116924713
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
CID 71882918
2-[1-(4-cyclohexylphenyl)ethylsulfanyl]acetic acid
CID 21393949
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
(4-cyclohexylphenyl)methanamine
CID 22246867

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-3-methylpentanoic acid?
The IUPAC name of 5-(4-cyclohexylphenyl)-3-methylpentanoic acid (CID 63536343) is 5-(4-cyclohexylphenyl)-3-methylpentanoic acid.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-3-methylpentanoic acid?
The canonical SMILES for 5-(4-cyclohexylphenyl)-3-methylpentanoic acid is CC(CCc1ccc(C2CCCCC2)cc1)CC(=O)O.
What is the InChIKey of 5-(4-cyclohexylphenyl)-3-methylpentanoic acid?
The InChIKey is BTRGYALGYPQECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14(13-18(19)20)7-8-15-9-11-17(12-10-15)16-5-3-2-4-6-16/h9-12,14,16H,2-8,13H2,1H3,(H,19,20).
What are the key properties of 5-(4-cyclohexylphenyl)-3-methylpentanoic acid?
5-(4-cyclohexylphenyl)-3-methylpentanoic acid has a molecular weight of 274.40 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-3-methylpentanoic acid is sourced from PubChem (CID 63536343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).