(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone

C18H26O2 — CID 65402526

IUPAC(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCC(CC)C2)cc1
InChIInChI=1S/C18H26O2/c1-3-12-20-17-10-8-15(9-11-17)18(19)16-7-5-6-14(4-2)13-16/h8-11,14,16H,3-7,12-13H2,1-2H3
InChIKeyHJRKVSXBLJFICM-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.87
Rot. Bonds6

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

(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone (PubChem CID 65402526) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
PubChem CID65402526
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCC(CC)C2)cc1
InChIInChI=1S/C18H26O2/c1-3-12-20-17-10-8-15(9-11-17)18(19)16-7-5-6-14(4-2)13-16/h8-11,14,16H,3-7,12-13H2,1-2H3
InChIKeyHJRKVSXBLJFICM-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
CID 65407752
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
CID 114425653
N-cyclohexyl-4-propoxybenzamide
CID 4938429

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone (CID 65402526) is (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CCCC(CC)C2)cc1.
What is the InChIKey of (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone?
The InChIKey is HJRKVSXBLJFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-12-20-17-10-8-15(9-11-17)18(19)16-7-5-6-14(4-2)13-16/h8-11,14,16H,3-7,12-13H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone?
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 65402526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).