(1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one

C19H18O2 — CID 10684000

IUPAC(1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one
SMILESO=C1C[C@H](C(O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]12
InChIInChI=1S/C19H18O2/c20-18-12-17(15-11-16(15)18)19(21,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2/t15-,16+,17-/m0/s1
InChIKeyOYMBRCKCGRXSLP-BBWFWOEESA-N
MW278.35 g/mol
LogP3.15
Rot. Bonds3

About (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one

(1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one (PubChem CID 10684000) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one
PubChem CID10684000
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one
SMILESO=C1C[C@H](C(O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]12
InChIInChI=1S/C19H18O2/c20-18-12-17(15-11-16(15)18)19(21,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2/t15-,16+,17-/m0/s1
InChIKeyOYMBRCKCGRXSLP-BBWFWOEESA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one (CID 10684000) is (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one is O=C1C[C@H](C(O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]12.
What is the InChIKey of (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one?
The InChIKey is OYMBRCKCGRXSLP-BBWFWOEESA-N. The full InChI is InChI=1S/C19H18O2/c20-18-12-17(15-11-16(15)18)19(21,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2/t15-,16+,17-/m0/s1.
What are the key properties of (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one?
(1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one has a molecular weight of 278.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-4-[hydroxy(diphenyl)methyl]bicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10684000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).