(5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone

C12H15ClO2 — CID 106691070

IUPAC(5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C12H15ClO2/c1-8-3-2-4-9(7-8)12(14)10-5-6-11(13)15-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeySXFOTAJWWAGRNH-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.94
Rot. Bonds2

About (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone

(5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone (PubChem CID 106691070) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone
PubChem CID106691070
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name(5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C12H15ClO2/c1-8-3-2-4-9(7-8)12(14)10-5-6-11(13)15-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeySXFOTAJWWAGRNH-UHFFFAOYSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
(3-bromo-2,6-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 106941683
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
CID 107413499
(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
CID 114976383
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409929
cyclohepten-1-yl-(3-methylcyclohexyl)methanone
CID 103450394
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
(2-bromo-3,4-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 107538200
(4-bromothiophen-3-yl)-(3-methylcyclohexyl)methanone
CID 79595510
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
(3-methylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79991728

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone (CID 106691070) is (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)c2ccc(Cl)o2)C1.
What is the InChIKey of (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone?
The InChIKey is SXFOTAJWWAGRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-3-2-4-9(7-8)12(14)10-5-6-11(13)15-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone?
(5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone has a molecular weight of 226.70 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 106691070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).