cyclohexyl 1-phenylcyclohexane-1-carboxylate

C19H26O2 — CID 54206862

IUPACcyclohexyl 1-phenylcyclohexane-1-carboxylate
SMILESO=C(OC1CCCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H26O2/c20-18(21-17-12-6-2-7-13-17)19(14-8-3-9-15-19)16-10-4-1-5-11-16/h1,4-5,10-11,17H,2-3,6-9,12-15H2
InChIKeyPTCDBAWVMSFKHP-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.76
Rot. Bonds3

About cyclohexyl 1-phenylcyclohexane-1-carboxylate

cyclohexyl 1-phenylcyclohexane-1-carboxylate (PubChem CID 54206862) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is cyclohexyl 1-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-phenylcyclohexane-1-carboxylate
PubChem CID54206862
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Namecyclohexyl 1-phenylcyclohexane-1-carboxylate
SMILESO=C(OC1CCCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H26O2/c20-18(21-17-12-6-2-7-13-17)19(14-8-3-9-15-19)16-10-4-1-5-11-16/h1,4-5,10-11,17H,2-3,6-9,12-15H2
InChIKeyPTCDBAWVMSFKHP-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-4-yl 1-phenylcycloheptane-1-carboxylate
CID 90705729
[(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] 1-phenylcycloheptane-1-carboxylate iodide
CID 24987734
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 1-phenylcyclopentane-1-carboxylate
CID 762162
[(1S,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] 1-phenylcyclopentane-1-carboxylate
CID 124776084
[(8S)-4-azabicyclo[5.2.0]nonan-8-yl] 1-phenylcyclohexane-1-carboxylate
CID 71101523
cyclohexyl 1-(4-acetyloxyphenyl)cyclooct-4-ene-1-carboxylate
CID 57293705
[(8S)-4-methyl-4-azabicyclo[5.2.0]nonan-8-yl] 1-phenylcycloheptane-1-carboxylate
CID 70807097
[(8S)-4-azabicyclo[5.2.0]nonan-8-yl] 1-phenylcyclopentane-1-carboxylate
CID 71101482
N-cyclopentyloxy-1-phenylcyclopropane-1-carboxamide
CID 83206224
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
[(1R)-1-piperidin-4-ylethyl] 1-phenylcycloheptane-1-carboxylate
CID 71244251

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-phenylcyclohexane-1-carboxylate?
The IUPAC name of cyclohexyl 1-phenylcyclohexane-1-carboxylate (CID 54206862) is cyclohexyl 1-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for cyclohexyl 1-phenylcyclohexane-1-carboxylate?
The canonical SMILES for cyclohexyl 1-phenylcyclohexane-1-carboxylate is O=C(OC1CCCCC1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of cyclohexyl 1-phenylcyclohexane-1-carboxylate?
The InChIKey is PTCDBAWVMSFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-18(21-17-12-6-2-7-13-17)19(14-8-3-9-15-19)16-10-4-1-5-11-16/h1,4-5,10-11,17H,2-3,6-9,12-15H2.
What are the key properties of cyclohexyl 1-phenylcyclohexane-1-carboxylate?
cyclohexyl 1-phenylcyclohexane-1-carboxylate has a molecular weight of 286.41 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 54206862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).