2-fluoro-4-(4-phenylcyclohexyl)benzoic acid

C19H19FO2 — CID 18991194

IUPAC2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
SMILESO=C(O)c1ccc(C2CCC(c3ccccc3)CC2)cc1F
InChIInChI=1S/C19H19FO2/c20-18-12-16(10-11-17(18)19(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15H,6-9H2,(H,21,22)
InChIKeyOOIDZKMGKXWCGP-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.97
Rot. Bonds3

About 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid

2-fluoro-4-(4-phenylcyclohexyl)benzoic acid (PubChem CID 18991194) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
PubChem CID18991194
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
SMILESO=C(O)c1ccc(C2CCC(c3ccccc3)CC2)cc1F
InChIInChI=1S/C19H19FO2/c20-18-12-16(10-11-17(18)19(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15H,6-9H2,(H,21,22)
InChIKeyOOIDZKMGKXWCGP-UHFFFAOYSA-N
XLogP4.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;phenyl 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 91162362
2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid
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(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
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2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
4-cyclopropyl-1,2-difluorobenzene;formic acid
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid?
The IUPAC name of 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid (CID 18991194) is 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid is O=C(O)c1ccc(C2CCC(c3ccccc3)CC2)cc1F.
What is the InChIKey of 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid?
The InChIKey is OOIDZKMGKXWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c20-18-12-16(10-11-17(18)19(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15H,6-9H2,(H,21,22).
What are the key properties of 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid?
2-fluoro-4-(4-phenylcyclohexyl)benzoic acid has a molecular weight of 298.36 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-phenylcyclohexyl)benzoic acid is sourced from PubChem (CID 18991194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).