(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone

C16H22O2 — CID 62801545

IUPAC(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
SMILESCCOc1ccccc1C(=O)C1CCCC(C)C1
InChIInChI=1S/C16H22O2/c1-3-18-15-10-5-4-9-14(15)16(17)13-8-6-7-12(2)11-13/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3
InChIKeyPNCKXWBVSQVBCC-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.09
Rot. Bonds4

About (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone

(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone (PubChem CID 62801545) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
PubChem CID62801545
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
SMILESCCOc1ccccc1C(=O)C1CCCC(C)C1
InChIInChI=1S/C16H22O2/c1-3-18-15-10-5-4-9-14(15)16(17)13-8-6-7-12(2)11-13/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3
InChIKeyPNCKXWBVSQVBCC-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxyphenyl)-[4-(2-methylpropylamino)cycloheptyl]methanone
CID 57098277
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
2-ethoxybenzoyl bromide
CID 19426336
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone (CID 62801545) is (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone is CCOc1ccccc1C(=O)C1CCCC(C)C1.
What is the InChIKey of (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone?
The InChIKey is PNCKXWBVSQVBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-18-15-10-5-4-9-14(15)16(17)13-8-6-7-12(2)11-13/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone?
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 62801545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).