(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone

C14H20O2 — CID 114976383

IUPAC(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
SMILESCc1cc(C(=O)C2CCCC(C)C2)c(C)o1
InChIInChI=1S/C14H20O2/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)16-11(13)3/h8-9,12H,4-7H2,1-3H3
InChIKeyKTYDOCGWRZOGFZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.91
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone

(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone (PubChem CID 114976383) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
PubChem CID114976383
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
SMILESCc1cc(C(=O)C2CCCC(C)C2)c(C)o1
InChIInChI=1S/C14H20O2/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)16-11(13)3/h8-9,12H,4-7H2,1-3H3
InChIKeyKTYDOCGWRZOGFZ-UHFFFAOYSA-N
XLogP3.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone
CID 79595510
(5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone
CID 106691070
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone
CID 114976354
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
(2-bromo-3,4-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 107538200

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone (CID 114976383) is (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone is Cc1cc(C(=O)C2CCCC(C)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone?
The InChIKey is KTYDOCGWRZOGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)16-11(13)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone?
(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone has a molecular weight of 220.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 114976383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).