2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid

C20H20O4 — CID 69101523

IUPAC2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid
SMILESO=C(O)c1ccccc1C(=O)OC1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H20O4/c21-18(22)16-11-5-6-12-17(16)19(23)24-20(13-7-2-8-14-20)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,21,22)
InChIKeyHXTWKOPISALGBG-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.40
Rot. Bonds4

About 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid

2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid (PubChem CID 69101523) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid
PubChem CID69101523
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid
SMILESO=C(O)c1ccccc1C(=O)OC1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H20O4/c21-18(22)16-11-5-6-12-17(16)19(23)24-20(13-7-2-8-14-20)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,21,22)
InChIKeyHXTWKOPISALGBG-UHFFFAOYSA-N
XLogP4.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408
2-(1-tert-butylcyclopentyl)oxycarbonylbenzoic acid
CID 139996064
1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443105
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
3-(1-phenylcyclopentyl)oxycarbonyloxy-4-(trifluoromethyl)benzoic acid
CID 170685941
(1-phenylcyclopropyl) acetate
CID 121216912
3-(1-phenylcyclohexyl)oxy-4-(trifluoromethyl)benzoic acid
CID 170686319
(1-phenylcyclohexyl) hydrogen sulfate
CID 87154592
hydride;phthalic acid;rubidium(1+)
CID 173256629
(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
CID 167315887
(1-phenylcyclopentyl) hydrogen sulfite
CID 66796702

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid?
The IUPAC name of 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid (CID 69101523) is 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid.
What is the SMILES notation for 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid?
The canonical SMILES for 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid is O=C(O)c1ccccc1C(=O)OC1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid?
The InChIKey is HXTWKOPISALGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c21-18(22)16-11-5-6-12-17(16)19(23)24-20(13-7-2-8-14-20)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,21,22).
What are the key properties of 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid?
2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid has a molecular weight of 324.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid is sourced from PubChem (CID 69101523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).