(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C19H26O — CID 65408200

IUPAC(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCCC1CCC(C(=O)C2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H26O/c1-2-14-7-9-16(10-8-14)19(20)18-12-11-15-5-3-4-6-17(15)13-18/h3-6,14,16,18H,2,7-13H2,1H3
InChIKeyFNLCWLRRVAYDAK-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.58
Rot. Bonds3

About (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 65408200) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID65408200
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCCC1CCC(C(=O)C2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H26O/c1-2-14-7-9-16(10-8-14)19(20)18-12-11-15-5-3-4-6-17(15)13-18/h3-6,14,16,18H,2,7-13H2,1H3
InChIKeyFNLCWLRRVAYDAK-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
2-pent-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
CID 90931605
(3-ethyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127094
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127677
N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127696
1-O-methyl 3-O-(1,2,3,4-tetrahydronaphthalene-2-carbonyl) benzene-1,3-dicarboxylate
CID 174466662
2,3-dihydro-1,4-benzodioxin-3-yl-(4-ethylcyclohexyl)methanone
CID 65350847
(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893040
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 65408200) is (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is CCC1CCC(C(=O)C2CCc3ccccc3C2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is FNLCWLRRVAYDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-2-14-7-9-16(10-8-14)19(20)18-12-11-15-5-3-4-6-17(15)13-18/h3-6,14,16,18H,2,7-13H2,1H3.
What are the key properties of (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 270.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 65408200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).