(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone

C18H26O2 — CID 65393507

IUPAC(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H26O2/c1-4-14-5-7-15(8-6-14)18(19)16-9-11-17(12-10-16)20-13(2)3/h9-15H,4-8H2,1-3H3
InChIKeyXVSDBCPSNXGUGS-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.87
Rot. Bonds5

About (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone

(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 65393507) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID65393507
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H26O2/c1-4-14-5-7-15(8-6-14)18(19)16-9-11-17(12-10-16)20-13(2)3/h9-15H,4-8H2,1-3H3
InChIKeyXVSDBCPSNXGUGS-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940602
(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
CID 65407752
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
(3-ethyl-1,4-dithian-2-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115386074
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 114425650
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
CID 65424840
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone (CID 65393507) is (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone is CCC1CCC(C(=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is XVSDBCPSNXGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-14-5-7-15(8-6-14)18(19)16-9-11-17(12-10-16)20-13(2)3/h9-15H,4-8H2,1-3H3.
What are the key properties of (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 65393507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).