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

C17H24O2 — CID 114975950

IUPAC(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C17H24O2/c1-4-13-6-9-14(10-7-13)17(18)15-8-5-12(2)16(11-15)19-3/h5,8,11,13-14H,4,6-7,9-10H2,1-3H3
InChIKeyVNRIFJCYRKGGET-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.40
Rot. Bonds4

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

(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 114975950) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID114975950
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C17H24O2/c1-4-13-6-9-14(10-7-13)17(18)15-8-5-12(2)16(11-15)19-3/h5,8,11,13-14H,4,6-7,9-10H2,1-3H3
InChIKeyVNRIFJCYRKGGET-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

(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 64775002
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114973789
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(3-methoxy-4-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947071
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone
CID 71080673
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone (CID 114975950) is (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone is CCC1CCC(C(=O)c2ccc(C)c(OC)c2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is VNRIFJCYRKGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-13-6-9-14(10-7-13)17(18)15-8-5-12(2)16(11-15)19-3/h5,8,11,13-14H,4,6-7,9-10H2,1-3H3.
What are the key properties of (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone?
(4-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 (4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 114975950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).