(3-ethylcyclohexyl)-(4-propylphenyl)methanone

C18H26O — CID 65402525

IUPAC(3-ethylcyclohexyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2CCCC(CC)C2)cc1
InChIInChI=1S/C18H26O/c1-3-6-15-9-11-16(12-10-15)18(19)17-8-5-7-14(4-2)13-17/h9-12,14,17H,3-8,13H2,1-2H3
InChIKeyUCRGHJCLCZJONN-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.04
Rot. Bonds5

About (3-ethylcyclohexyl)-(4-propylphenyl)methanone

(3-ethylcyclohexyl)-(4-propylphenyl)methanone (PubChem CID 65402525) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(4-propylphenyl)methanone
PubChem CID65402525
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(3-ethylcyclohexyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2CCCC(CC)C2)cc1
InChIInChI=1S/C18H26O/c1-3-6-15-9-11-16(12-10-15)18(19)17-8-5-7-14(4-2)13-17/h9-12,14,17H,3-8,13H2,1-2H3
InChIKeyUCRGHJCLCZJONN-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
azetidin-3-yl-(4-propylphenyl)methanone
CID 116583611
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
CID 114512492
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
CID 116554085

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(4-propylphenyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(4-propylphenyl)methanone (CID 65402525) is (3-ethylcyclohexyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(4-propylphenyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)C2CCCC(CC)C2)cc1.
What is the InChIKey of (3-ethylcyclohexyl)-(4-propylphenyl)methanone?
The InChIKey is UCRGHJCLCZJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-6-15-9-11-16(12-10-15)18(19)17-8-5-7-14(4-2)13-17/h9-12,14,17H,3-8,13H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(4-propylphenyl)methanone?
(3-ethylcyclohexyl)-(4-propylphenyl)methanone has a molecular weight of 258.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 65402525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).