2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone

C12H18O2 — CID 130579220

IUPAC2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2=COCC2)CC1
InChIInChI=1S/C12H18O2/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h8-10H,2-7H2,1H3
InChIKeyHDXHHYCELONPOJ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds2

About 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone

2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone (PubChem CID 130579220) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone
PubChem CID130579220
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2=COCC2)CC1
InChIInChI=1S/C12H18O2/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h8-10H,2-7H2,1H3
InChIKeyHDXHHYCELONPOJ-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579792
2-Cyclohexyl-5-methoxypent-1-en-3-one
CID 122518622
1-[4-(1-Propan-2-yloxyethenyl)cyclohexyl]propan-1-one
CID 156047522
4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-isochromen-8-yl]butan-2-one
CID 10856703
2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one
CID 10943376
(2S,3R)-2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090574
2-(3,4-dihydro-2H-pyran-5-yl)cyclohexan-1-one
CID 14910840
4-[(4S,5R,7aR)-1,1,5-trimethyl-5,6,7,7a-tetrahydro-4H-2-benzofuran-4-yl]butan-2-one
CID 21628188
2-Cyclohexyl-5-methyl-2,3-dihydropyran-4-one
CID 86228817
2-Methyl-1-(1-oxaspiro[5.5]undecan-4-yl)prop-2-en-1-one
CID 103446355

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone (CID 130579220) is 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)C2=COCC2)CC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone?
The InChIKey is HDXHHYCELONPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h8-10H,2-7H2,1H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone?
2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 130579220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).