ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one

C15H22O2 — CID 143613083

IUPACethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
SMILESCC.CCC(=O)C1CCc2cc(C)ccc2O1
InChIInChI=1S/C13H16O2.C2H6/c1-3-11(14)13-7-5-10-8-9(2)4-6-12(10)15-13;1-2/h4,6,8,13H,3,5,7H2,1-2H3;1-2H3
InChIKeyOCTPNLGCHSRUAV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.69
Rot. Bonds2

About ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one

ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one (PubChem CID 143613083) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
PubChem CID143613083
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
SMILESCC.CCC(=O)C1CCc2cc(C)ccc2O1
InChIInChI=1S/C13H16O2.C2H6/c1-3-11(14)13-7-5-10-8-9(2)4-6-12(10)15-13;1-2/h4,6,8,13H,3,5,7H2,1-2H3;1-2H3
InChIKeyOCTPNLGCHSRUAV-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
2-[(2R)-6-methyl-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 147031963
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551
N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 166298512
N-(4-carbamoylphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 139007058
N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 44515635
(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 124842764
1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
CID 71249247
3-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-one
CID 165456674
ethyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 71249243
ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 143613113

Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one?
The IUPAC name of ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one (CID 143613083) is ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one.
What is the SMILES notation for ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one?
The canonical SMILES for ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one is CC.CCC(=O)C1CCc2cc(C)ccc2O1.
What is the InChIKey of ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one?
The InChIKey is OCTPNLGCHSRUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C2H6/c1-3-11(14)13-7-5-10-8-9(2)4-6-12(10)15-13;1-2/h4,6,8,13H,3,5,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one?
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one is sourced from PubChem (CID 143613083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).