(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol

C18H18O2 — CID 54095023

IUPAC(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol
SMILESO[C@@H](c1ccc(-c2ccccc2)cc1)C1C[C@@H]2O[C@@H]2C1
InChIInChI=1S/C18H18O2/c19-18(15-10-16-17(11-15)20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2/t15?,16-,17+,18-/m0/s1
InChIKeyMWNKZKBTHCWQFO-FBVQUNGASA-N
MW266.34 g/mol
LogP3.56
Rot. Bonds3

About (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol

(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol (PubChem CID 54095023) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol
PubChem CID54095023
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol
SMILESO[C@@H](c1ccc(-c2ccccc2)cc1)C1C[C@@H]2O[C@@H]2C1
InChIInChI=1S/C18H18O2/c19-18(15-10-16-17(11-15)20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2/t15?,16-,17+,18-/m0/s1
InChIKeyMWNKZKBTHCWQFO-FBVQUNGASA-N
XLogP3.56
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol
CID 65455513
1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
CID 103456996
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
cyclopropyl-[4-(4-methylphenyl)phenyl]methanol
CID 175668827
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(R)-cyclohexyl-(3,5-diphenylphenyl)methanol
CID 102450158
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol?
The IUPAC name of (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol (CID 54095023) is (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol.
What is the SMILES notation for (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol?
The canonical SMILES for (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol is O[C@@H](c1ccc(-c2ccccc2)cc1)C1C[C@@H]2O[C@@H]2C1.
What is the InChIKey of (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol?
The InChIKey is MWNKZKBTHCWQFO-FBVQUNGASA-N. The full InChI is InChI=1S/C18H18O2/c19-18(15-10-16-17(11-15)20-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2/t15?,16-,17+,18-/m0/s1.
What are the key properties of (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol?
(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol has a molecular weight of 266.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol is sourced from PubChem (CID 54095023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).