2-methylpropyl 1-phenylcyclohexane-1-carboxylate

C17H24O2 — CID 162502203

IUPAC2-methylpropyl 1-phenylcyclohexane-1-carboxylate
SMILESCC(C)COC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H24O2/c1-14(2)13-19-16(18)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3
InChIKeyCNJWBCMQMMXWHV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.09
Rot. Bonds4

About 2-methylpropyl 1-phenylcyclohexane-1-carboxylate

2-methylpropyl 1-phenylcyclohexane-1-carboxylate (PubChem CID 162502203) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methylpropyl 1-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-phenylcyclohexane-1-carboxylate
PubChem CID162502203
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-methylpropyl 1-phenylcyclohexane-1-carboxylate
SMILESCC(C)COC(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H24O2/c1-14(2)13-19-16(18)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3
InChIKeyCNJWBCMQMMXWHV-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl 1-(4-bromophenyl)cyclohexane-1-carboxylate
CID 146572236
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8610955
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763
trimethyl-[2-(1-phenylcyclopentanecarbonyl)oxyethyl]azanium chloride
CID 163331456
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
trimethyl-[2-(1-phenylcyclopentanecarbonyl)oxypropyl]azanium iodide
CID 44660686
bis(ethyl-[2-(1-phenylcyclohexanecarbonyl)oxyethyl]azanium);sulfate
CID 162394226
2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
CID 25066162
[(1R)-1-piperidin-4-ylethyl] 1-phenylcycloheptane-1-carboxylate
CID 71244251
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-phenylcyclohexane-1-carboxylate?
The IUPAC name of 2-methylpropyl 1-phenylcyclohexane-1-carboxylate (CID 162502203) is 2-methylpropyl 1-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-phenylcyclohexane-1-carboxylate?
The canonical SMILES for 2-methylpropyl 1-phenylcyclohexane-1-carboxylate is CC(C)COC(=O)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-methylpropyl 1-phenylcyclohexane-1-carboxylate?
The InChIKey is CNJWBCMQMMXWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-14(2)13-19-16(18)17(11-7-4-8-12-17)15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3.
What are the key properties of 2-methylpropyl 1-phenylcyclohexane-1-carboxylate?
2-methylpropyl 1-phenylcyclohexane-1-carboxylate has a molecular weight of 260.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 162502203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).