(1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane

C18H18O — CID 10966927

IUPAC(1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane
SMILESc1ccc(C(c2ccccc2)[C@@H]2CO[C@H]3C[C@H]32)cc1
InChIInChI=1S/C18H18O/c1-3-7-13(8-4-1)18(14-9-5-2-6-10-14)16-12-19-17-11-15(16)17/h1-10,15-18H,11-12H2/t15-,16+,17-/m0/s1
InChIKeyOGTBXACYMXHLEH-BBWFWOEESA-N
MW250.34 g/mol
LogP3.85
Rot. Bonds3

About (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane

(1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane (PubChem CID 10966927) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane
PubChem CID10966927
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane
SMILESc1ccc(C(c2ccccc2)[C@@H]2CO[C@H]3C[C@H]32)cc1
InChIInChI=1S/C18H18O/c1-3-7-13(8-4-1)18(14-9-5-2-6-10-14)16-12-19-17-11-15(16)17/h1-10,15-18H,11-12H2/t15-,16+,17-/m0/s1
InChIKeyOGTBXACYMXHLEH-BBWFWOEESA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[oxiran-2-yl(phenyl)methyl]sulfanyl-phenylmethyl]oxirane
CID 54307335
(3S,6S)-6-benzhydryloxan-3-amine
CID 11565229
(2R,4S)-2-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-4-amine
CID 66631634
2-[(R)-fluoro(phenyl)methyl]oxirane
CID 87788232
(2R)-2-[(S)-bromo(phenyl)methyl]oxirane
CID 14961977
(2R,4S)-2-benzhydryloxan-4-ol
CID 11565243
3-benzhydryl-2-methylcyclobutan-1-one
CID 13283418
(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol
CID 11303888
trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane
CID 101496989
(2-benzhydryl-1,3-dioxan-5-yl)-dimethylsulfanium perchlorate
CID 11957990
[oxiran-2-yl(phenyl)methyl] hypobromite
CID 174319949
(3S,6R)-6-benzhydryl-N-[(4-fluorophenyl)methyl]oxan-3-amine
CID 66632050

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane (CID 10966927) is (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane is c1ccc(C(c2ccccc2)[C@@H]2CO[C@H]3C[C@H]32)cc1.
What is the InChIKey of (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane?
The InChIKey is OGTBXACYMXHLEH-BBWFWOEESA-N. The full InChI is InChI=1S/C18H18O/c1-3-7-13(8-4-1)18(14-9-5-2-6-10-14)16-12-19-17-11-15(16)17/h1-10,15-18H,11-12H2/t15-,16+,17-/m0/s1.
What are the key properties of (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane?
(1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane has a molecular weight of 250.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-4-benzhydryl-2-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 10966927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).