(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen

C15H22O2 — CID 160876480

IUPAC(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
SMILESCc1ccc(OC(=O)C2CCC(C)CC2)cc1.[H][H]
InChIInChI=1S/C15H20O2.H2/c1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;/h5-6,9-11,13H,3-4,7-8H2,1-2H3;1H
InChIKeySMLQRIRPHROWHI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.97
Rot. Bonds2

About (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen

(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen (PubChem CID 160876480) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Name(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
PubChem CID160876480
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
SMILESCc1ccc(OC(=O)C2CCC(C)CC2)cc1.[H][H]
InChIInChI=1S/C15H20O2.H2/c1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;/h5-6,9-11,13H,3-4,7-8H2,1-2H3;1H
InChIKeySMLQRIRPHROWHI-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
ethene;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-methylcyclohexane-1-carboxylate
CID 54498488
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
[4-(3,4-dimethylphenyl)phenyl] 4-methylcyclohexane-1-carboxylate
CID 23516334
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
methane;[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 162132336
(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate
CID 123331148
[4-(4-methylphenyl)phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 54254635
(4-pentoxyphenyl) 4-methylcyclohexane-1-carboxylate
CID 58651924
(3,4-difluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 161466235
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate
CID 139337231

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen?
The IUPAC name of (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen (CID 160876480) is (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen.
What is the SMILES notation for (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen?
The canonical SMILES for (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen is Cc1ccc(OC(=O)C2CCC(C)CC2)cc1.[H][H].
What is the InChIKey of (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen?
The InChIKey is SMLQRIRPHROWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2.H2/c1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;/h5-6,9-11,13H,3-4,7-8H2,1-2H3;1H.
What are the key properties of (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen?
(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen has a molecular weight of 234.34 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 160876480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).