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

C19H28O2 — CID 65424083

IUPAC(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H28O2/c1-13(2)15-5-7-16(8-6-15)19(20)17-9-11-18(12-10-17)21-14(3)4/h9-16H,5-8H2,1-4H3
InChIKeyBBIDQNYGHFCLLD-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.12
Rot. Bonds5

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

(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 65424083) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID65424083
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H28O2/c1-13(2)15-5-7-16(8-6-15)19(20)17-9-11-18(12-10-17)21-14(3)4/h9-16H,5-8H2,1-4H3
InChIKeyBBIDQNYGHFCLLD-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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)-(4-propan-2-yloxyphenyl)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

(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65393507
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940602
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
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
CID 80622537
furan-3-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65423106
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82152488
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone (CID 65424083) is (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)C2CCC(C(C)C)CC2)cc1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is BBIDQNYGHFCLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(2)15-5-7-16(8-6-15)19(20)17-9-11-18(12-10-17)21-14(3)4/h9-16H,5-8H2,1-4H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone?
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 288.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 65424083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).