1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone

C12H16O3 — CID 11458439

IUPAC1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone
SMILESCC(=O)[C@]1(c2ccco2)CCCC[C@@H]1O
InChIInChI=1S/C12H16O3/c1-9(13)12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8,10,14H,2-3,5,7H2,1H3/t10-,12+/m0/s1
InChIKeyYIYNLKODKPXXAM-CMPLNLGQSA-N
MW208.26 g/mol
LogP2.04
Rot. Bonds2

About 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone

1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone (PubChem CID 11458439) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone
PubChem CID11458439
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone
SMILESCC(=O)[C@]1(c2ccco2)CCCC[C@@H]1O
InChIInChI=1S/C12H16O3/c1-9(13)12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8,10,14H,2-3,5,7H2,1H3/t10-,12+/m0/s1
InChIKeyYIYNLKODKPXXAM-CMPLNLGQSA-N
XLogP2.04
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
2-(furan-2-yl)oxolane-2-carboxylic acid
CID 178200785
1-[(1R,2R)-1,2-dihydroxycyclohexyl]ethanone
CID 130753130
cis-(1S,2R)-2-hydroxy-1-naphthalen-2-ylcyclohexane-1-carboxylic acid
CID 68673102
2-(furan-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62388314
2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117169364
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 68673384
1-[4-[[7-(furan-2-yl)-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]sulfonyl]phenyl]ethanone
CID 110223417
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
ethyl 1-(furan-2-yl)cyclopropane-1-carboxylate
CID 105438633
2-(2-methoxyoxolan-2-yl)furan
CID 141004568
2-[1-(furan-2-yl)cyclopropyl]propan-2-amine
CID 83673829

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone (CID 11458439) is 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone is CC(=O)[C@]1(c2ccco2)CCCC[C@@H]1O.
What is the InChIKey of 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone?
The InChIKey is YIYNLKODKPXXAM-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(13)12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8,10,14H,2-3,5,7H2,1H3/t10-,12+/m0/s1.
What are the key properties of 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone?
1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-(furan-2-yl)-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 11458439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).