(1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol

C17H24O3 — CID 134945504

IUPAC(1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol
SMILESO[C@H](C[C@H]1CO[C@H](C2CCCCC2)O1)c1ccccc1
InChIInChI=1S/C17H24O3/c18-16(13-7-3-1-4-8-13)11-15-12-19-17(20-15)14-9-5-2-6-10-14/h1,3-4,7-8,14-18H,2,5-6,9-12H2/t15-,16+,17-/m0/s1
InChIKeyNOPKYXQIIFTLHT-BBWFWOEESA-N
MW276.38 g/mol
LogP3.43
Rot. Bonds4

About (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol

(1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol (PubChem CID 134945504) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol
PubChem CID134945504
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol
SMILESO[C@H](C[C@H]1CO[C@H](C2CCCCC2)O1)c1ccccc1
InChIInChI=1S/C17H24O3/c18-16(13-7-3-1-4-8-13)11-15-12-19-17(20-15)14-9-5-2-6-10-14/h1,3-4,7-8,14-18H,2,5-6,9-12H2/t15-,16+,17-/m0/s1
InChIKeyNOPKYXQIIFTLHT-BBWFWOEESA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol (CID 134945504) is (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol is O[C@H](C[C@H]1CO[C@H](C2CCCCC2)O1)c1ccccc1.
What is the InChIKey of (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol?
The InChIKey is NOPKYXQIIFTLHT-BBWFWOEESA-N. The full InChI is InChI=1S/C17H24O3/c18-16(13-7-3-1-4-8-13)11-15-12-19-17(20-15)14-9-5-2-6-10-14/h1,3-4,7-8,14-18H,2,5-6,9-12H2/t15-,16+,17-/m0/s1.
What are the key properties of (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol?
(1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol has a molecular weight of 276.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S,4S)-2-cyclohexyl-1,3-dioxolan-4-yl]-1-phenylethanol is sourced from PubChem (CID 134945504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).