(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane

C17H30O2 — CID 142373793

IUPAC(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
SMILESCC.CC.OC[C@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C13H18O2.2C2H6/c14-10-13(15,12-8-4-5-9-12)11-6-2-1-3-7-11;2*1-2/h1-3,6-7,12,14-15H,4-5,8-10H2;2*1-2H3/t13-;;/m0../s1
InChIKeyHASMAKUMRCFZQP-GXKRWWSZSA-N
MW266.43 g/mol
LogP4.11
Rot. Bonds3

About (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane

(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane (PubChem CID 142373793) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
PubChem CID142373793
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
SMILESCC.CC.OC[C@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C13H18O2.2C2H6/c14-10-13(15,12-8-4-5-9-12)11-6-2-1-3-7-11;2*1-2/h1-3,6-7,12,14-15H,4-5,8-10H2;2*1-2H3/t13-;;/m0../s1
InChIKeyHASMAKUMRCFZQP-GXKRWWSZSA-N
XLogP4.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
CID 156850348
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
1-cyclohexyl-5-(diethylamino)-1-phenylpent-3-yn-1-ol chloride
CID 53350693
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 139079570
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane?
The IUPAC name of (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane (CID 142373793) is (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane.
What is the SMILES notation for (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane?
The canonical SMILES for (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane is CC.CC.OC[C@](O)(c1ccccc1)C1CCCC1.
What is the InChIKey of (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane?
The InChIKey is HASMAKUMRCFZQP-GXKRWWSZSA-N. The full InChI is InChI=1S/C13H18O2.2C2H6/c14-10-13(15,12-8-4-5-9-12)11-6-2-1-3-7-11;2*1-2/h1-3,6-7,12,14-15H,4-5,8-10H2;2*1-2H3/t13-;;/m0../s1.
What are the key properties of (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane?
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane has a molecular weight of 266.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane is sourced from PubChem (CID 142373793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).