(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone

C18H26O2 — CID 65423286

IUPAC(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C18H26O2/c1-4-5-14-7-9-15(10-8-14)18(19)16-12-13(2)6-11-17(16)20-3/h6,11-12,14-15H,4-5,7-10H2,1-3H3
InChIKeyJXPDELJRVNJSBG-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.79
Rot. Bonds5

About (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone

(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone (PubChem CID 65423286) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
PubChem CID65423286
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
SMILESCCCC1CCC(C(=O)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C18H26O2/c1-4-5-14-7-9-15(10-8-14)18(19)16-12-13(2)6-11-17(16)20-3/h6,11-12,14-15H,4-5,7-10H2,1-3H3
InChIKeyJXPDELJRVNJSBG-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
2-(3-bromo-4-methoxyphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65423096
2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-(4-propylcyclohexyl)methanone
CID 118287310
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone
CID 106790174
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 171947109
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone (CID 65423286) is (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone is CCCC1CCC(C(=O)c2cc(C)ccc2OC)CC1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone?
The InChIKey is JXPDELJRVNJSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-5-14-7-9-15(10-8-14)18(19)16-12-13(2)6-11-17(16)20-3/h6,11-12,14-15H,4-5,7-10H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone?
(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone is sourced from PubChem (CID 65423286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).