(4-ethylphenyl)-(4-methylcyclohexyl)methanone

C16H22O — CID 63409487

IUPAC(4-ethylphenyl)-(4-methylcyclohexyl)methanone
SMILESCCc1ccc(C(=O)C2CCC(C)CC2)cc1
InChIInChI=1S/C16H22O/c1-3-13-6-10-15(11-7-13)16(17)14-8-4-12(2)5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3
InChIKeyYJMDSMOCBWTFNJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.26
Rot. Bonds3

About (4-ethylphenyl)-(4-methylcyclohexyl)methanone

(4-ethylphenyl)-(4-methylcyclohexyl)methanone (PubChem CID 63409487) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-methylcyclohexyl)methanone
PubChem CID63409487
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(4-ethylphenyl)-(4-methylcyclohexyl)methanone
SMILESCCc1ccc(C(=O)C2CCC(C)CC2)cc1
InChIInChI=1S/C16H22O/c1-3-13-6-10-15(11-7-13)16(17)14-8-4-12(2)5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3
InChIKeyYJMDSMOCBWTFNJ-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
3-(4-ethylbenzoyl)cyclopentan-1-one
CID 79639553
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
trans-(1R,2R)-2-(4-ethylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722438
9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
CID 171944685
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
CID 116749465
N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
CID 143314196
[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone
CID 79066837
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (4-ethylphenyl)-(4-methylcyclohexyl)methanone (CID 63409487) is (4-ethylphenyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4-methylcyclohexyl)methanone is CCc1ccc(C(=O)C2CCC(C)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-methylcyclohexyl)methanone?
The InChIKey is YJMDSMOCBWTFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-13-6-10-15(11-7-13)16(17)14-8-4-12(2)5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(4-methylcyclohexyl)methanone?
(4-ethylphenyl)-(4-methylcyclohexyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 63409487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).