(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone

C19H28O2 — CID 114971124

IUPAC(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
SMILESCCCCC1CCC(C(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C19H28O2/c1-3-5-8-15-11-13-16(14-12-15)19(20)17-9-6-7-10-18(17)21-4-2/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3
InChIKeyYDFRXZHJNHCCPP-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.26
Rot. Bonds7

About (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone

(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone (PubChem CID 114971124) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
PubChem CID114971124
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
SMILESCCCCC1CCC(C(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C19H28O2/c1-3-5-8-15-11-13-16(14-12-15)19(20)17-9-6-7-10-18(17)21-4-2/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3
InChIKeyYDFRXZHJNHCCPP-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
(2-ethoxyphenyl)-[4-(2-methylpropylamino)cycloheptyl]methanone
CID 57098277
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017
(2-tert-butylphenyl) 4-butylcyclohexane-1-carboxylate
CID 19207032
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-(4-propylcyclohexyl)methanone
CID 118287310
(4-ethoxy-2,3-difluorophenyl) 4-butylcyclohexane-1-carboxylate;(4-ethoxy-2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
CID 158417917
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
2-ethoxybenzoyl bromide
CID 19426336
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone (CID 114971124) is (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone is CCCCC1CCC(C(=O)c2ccccc2OCC)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone?
The InChIKey is YDFRXZHJNHCCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-5-8-15-11-13-16(14-12-15)19(20)17-9-6-7-10-18(17)21-4-2/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone?
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone has a molecular weight of 288.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 114971124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).