1-(oxan-2-yl)-1-phenylethanol

C13H18O2 — CID 102596007

IUPAC1-(oxan-2-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1CCCCO1
InChIInChI=1S/C13H18O2/c1-13(14,11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12,14H,5-6,9-10H2,1H3
InChIKeyKHUIRZPBZUQLDJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.46
Rot. Bonds2

About 1-(oxan-2-yl)-1-phenylethanol

1-(oxan-2-yl)-1-phenylethanol (PubChem CID 102596007) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(oxan-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(oxan-2-yl)-1-phenylethanol
PubChem CID102596007
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-(oxan-2-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1CCCCO1
InChIInChI=1S/C13H18O2/c1-13(14,11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12,14H,5-6,9-10H2,1H3
InChIKeyKHUIRZPBZUQLDJ-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
(1R)-1-[(2R,4R)-4-tert-butyl-1,3-dioxan-2-yl]-1-phenylethanol
CID 101153102
(2S)-2-tert-butyloxane
CID 118633229
4,4,5,5-tetramethyl-2-[(1R)-1-(oxolan-2-yl)-1-phenylethyl]-1,3,2-dioxaborolane
CID 163408172
(1S)-1-[(2R,4S)-4-methyl-1,3-dioxan-2-yl]-1-phenylethanol
CID 101153103
2-[2-bromo-2-(oxan-2-yl)propanoyl]benzohydrazide
CID 164857060
3-(oxolan-2-yl)-1,5-diphenylpentan-3-ol
CID 15497274
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
CID 99932597
bis(3-methoxyphenyl)-(oxolan-2-yl)methanol
CID 102218683
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-1-phenylethanol?
The IUPAC name of 1-(oxan-2-yl)-1-phenylethanol (CID 102596007) is 1-(oxan-2-yl)-1-phenylethanol.
What is the SMILES notation for 1-(oxan-2-yl)-1-phenylethanol?
The canonical SMILES for 1-(oxan-2-yl)-1-phenylethanol is CC(O)(c1ccccc1)C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-1-phenylethanol?
The InChIKey is KHUIRZPBZUQLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(14,11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12,14H,5-6,9-10H2,1H3.
What are the key properties of 1-(oxan-2-yl)-1-phenylethanol?
1-(oxan-2-yl)-1-phenylethanol has a molecular weight of 206.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-1-phenylethanol is sourced from PubChem (CID 102596007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).