(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one

C32H28O2 — CID 139057610

IUPAC(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)(c2ccccc2)C[C@@H]1[C@@H](O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H28O2/c33-29-21-22-32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)23-28(29)31(34)30(24-13-5-1-6-14-24)25-15-7-2-8-16-25/h1-22,28,30-31,34H,23H2/t28-,31+/m0/s1
InChIKeyWYQMLSMSEKKQDQ-QCENPCRXSA-N
MW444.57 g/mol
LogP6.31
Rot. Bonds6

About (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one

(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one (PubChem CID 139057610) has the molecular formula C32H28O2 and a molecular weight of 444.57 g/mol. Its IUPAC name is (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one
PubChem CID139057610
Molecular FormulaC32H28O2
Molecular Weight444.57 g/mol
Exact Mass444.21
IUPAC Name(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one
SMILESO=C1C=CC(c2ccccc2)(c2ccccc2)C[C@@H]1[C@@H](O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H28O2/c33-29-21-22-32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)23-28(29)31(34)30(24-13-5-1-6-14-24)25-15-7-2-8-16-25/h1-22,28,30-31,34H,23H2/t28-,31+/m0/s1
InChIKeyWYQMLSMSEKKQDQ-QCENPCRXSA-N
XLogP6.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,6-triphenylcyclohex-2-en-1-one
CID 11012776
(1R,5S)-7-methyl-5-phenylbicyclo[3.2.1]octa-3,6-dien-2-one
CID 10878427
4,4,6,6-tetraphenylcyclohex-2-en-1-one
CID 5248169
6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320357
(5-methyl-2-oxo-5-phenylcyclohex-3-en-1-yl) acetate
CID 13380302
(1S)-1,2,2-triphenylethanol
CID 38988933
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
(2S)-2-[(S)-hydroxy(phenyl)methyl]-4,4-dimethylcyclohexan-1-one
CID 102156460
2-benzhydryl-6-hydroxy-6-methylpyran-3-one
CID 117066444
2-(4-amino-1-phenylcyclohexa-2,4-dien-1-yl)terephthalic acid
CID 67805180
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
(4R,6S)-4-hydroxy-6-(1-phenylprop-2-enyl)cyclohex-2-en-1-one
CID 11148893

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one?
The IUPAC name of (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one (CID 139057610) is (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one is O=C1C=CC(c2ccccc2)(c2ccccc2)C[C@@H]1[C@@H](O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one?
The InChIKey is WYQMLSMSEKKQDQ-QCENPCRXSA-N. The full InChI is InChI=1S/C32H28O2/c33-29-21-22-32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)23-28(29)31(34)30(24-13-5-1-6-14-24)25-15-7-2-8-16-25/h1-22,28,30-31,34H,23H2/t28-,31+/m0/s1.
What are the key properties of (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one?
(6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one has a molecular weight of 444.57 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1S)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one is sourced from PubChem (CID 139057610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).