(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone

C19H28O2 — CID 104659305

IUPAC(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H28O2/c1-4-13-21-18-8-6-5-7-17(18)19(20)16-11-9-15(10-12-16)14(2)3/h5-8,14-16H,4,9-13H2,1-3H3
InChIKeyLGGBNDVJPUPDGE-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.12
Rot. Bonds6

About (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone

(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone (PubChem CID 104659305) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
PubChem CID104659305
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H28O2/c1-4-13-21-18-8-6-5-7-17(18)19(20)16-11-9-15(10-12-16)14(2)3/h5-8,14-16H,4,9-13H2,1-3H3
InChIKeyLGGBNDVJPUPDGE-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
cyclopropyl-(5-iodo-2-propoxyphenyl)methanone
CID 82267286
(2-propoxyphenyl)-(thiolan-2-yl)methanone
CID 104659403
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
6-(2-propoxybenzoyl)piperidin-2-one
CID 54196538
(2-ethoxyphenyl)-[4-(2-methylpropylamino)cycloheptyl]methanone
CID 57098277
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone (CID 104659305) is (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)C1CCC(C(C)C)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone?
The InChIKey is LGGBNDVJPUPDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-4-13-21-18-8-6-5-7-17(18)19(20)16-11-9-15(10-12-16)14(2)3/h5-8,14-16H,4,9-13H2,1-3H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone?
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone has a molecular weight of 288.43 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 104659305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).