3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone

C17H22O2 — CID 65407202

IUPAC3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2CCOc3ccccc32)C1
InChIInChI=1S/C17H22O2/c1-12-5-4-6-13(11-12)17(18)15-9-10-19-16-8-3-2-7-14(15)16/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3
InChIKeyUUMUGXIJXCFIDC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.95
Rot. Bonds2

About 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone

3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone (PubChem CID 65407202) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone
PubChem CID65407202
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2CCOc3ccccc32)C1
InChIInChI=1S/C17H22O2/c1-12-5-4-6-13(11-12)17(18)15-9-10-19-16-8-3-2-7-14(15)16/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3
InChIKeyUUMUGXIJXCFIDC-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone
CID 79759884
2,3-dihydro-1H-indol-3-yl-(3-methylcyclohexyl)methanone
CID 116594591
1-(3,4-dihydro-2H-chromene-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118373
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
3,4-dihydro-2H-chromene-4-carbonyl isothiocyanate
CID 63708672
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone (CID 65407202) is 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2CCOc3ccccc32)C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone?
The InChIKey is UUMUGXIJXCFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12-5-4-6-13(11-12)17(18)15-9-10-19-16-8-3-2-7-14(15)16/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone?
3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 65407202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).