2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol

C13H18O3 — CID 134960360

IUPAC2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol
SMILESCOc1ccc([C@@H]2C[C@@H](CCO)CO2)cc1
InChIInChI=1S/C13H18O3/c1-15-12-4-2-11(3-5-12)13-8-10(6-7-14)9-16-13/h2-5,10,13-14H,6-9H2,1H3/t10-,13+/m1/s1
InChIKeyBJZREEQMABJVIW-MFKMUULPSA-N
MW222.28 g/mol
LogP2.16
Rot. Bonds4

About 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol

2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol (PubChem CID 134960360) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol
PubChem CID134960360
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol
SMILESCOc1ccc([C@@H]2C[C@@H](CCO)CO2)cc1
InChIInChI=1S/C13H18O3/c1-15-12-4-2-11(3-5-12)13-8-10(6-7-14)9-16-13/h2-5,10,13-14H,6-9H2,1H3/t10-,13+/m1/s1
InChIKeyBJZREEQMABJVIW-MFKMUULPSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
(2R,4S,5S)-5-chloro-2-(4-methoxyphenyl)oxan-4-ol
CID 100945534
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
(2S,4R,5R)-2-(4-methoxyphenyl)-5-phenylmethoxyoxan-4-ol
CID 10663083
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
2-methoxy-6-(4-methoxyphenyl)oxane
CID 68556423
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 162348675
(2R)-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran
CID 100966356

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol?
The IUPAC name of 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol (CID 134960360) is 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol?
The canonical SMILES for 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol is COc1ccc([C@@H]2C[C@@H](CCO)CO2)cc1.
What is the InChIKey of 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol?
The InChIKey is BJZREEQMABJVIW-MFKMUULPSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-12-4-2-11(3-5-12)13-8-10(6-7-14)9-16-13/h2-5,10,13-14H,6-9H2,1H3/t10-,13+/m1/s1.
What are the key properties of 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol?
2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-5-(4-methoxyphenyl)oxolan-3-yl]ethanol is sourced from PubChem (CID 134960360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).