(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone

C17H24O2 — CID 114973789

IUPAC(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCCC1CCCCC1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H24O2/c1-4-13-7-5-6-8-15(13)17(18)14-10-9-12(2)16(11-14)19-3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyFWYWUSLVCVSGCX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.40
Rot. Bonds4

About (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone

(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 114973789) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID114973789
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCCC1CCCCC1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H24O2/c1-4-13-7-5-6-8-15(13)17(18)14-10-9-12(2)16(11-14)19-3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyFWYWUSLVCVSGCX-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-ethylcyclohexyl)methanone
CID 114973801
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone
CID 115565963
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
(3-methoxy-4-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947071
(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone
CID 130908835
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone (CID 114973789) is (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone is CCC1CCCCC1C(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is FWYWUSLVCVSGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-13-7-5-6-8-15(13)17(18)14-10-9-12(2)16(11-14)19-3/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 114973789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).