[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone

C31H28O2 — CID 122370322

IUPAC[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone
SMILESC[C@@]1(Cc2ccc(C(=O)c3ccccc3)cc2)CCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C31H28O2/c1-30(23-24-17-19-26(20-18-24)29(32)25-11-5-2-6-12-25)21-22-31(33-30,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20H,21-23H2,1H3/t30-/m0/s1
InChIKeyISKARJBSUFEKJE-PMERELPUSA-N
MW432.56 g/mol
LogP6.97
Rot. Bonds6

About [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone

[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone (PubChem CID 122370322) has the molecular formula C31H28O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone
PubChem CID122370322
Molecular FormulaC31H28O2
Molecular Weight432.56 g/mol
Exact Mass432.21
IUPAC Name[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone
SMILESC[C@@]1(Cc2ccc(C(=O)c3ccccc3)cc2)CCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C31H28O2/c1-30(23-24-17-19-26(20-18-24)29(32)25-11-5-2-6-12-25)21-22-31(33-30,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20H,21-23H2,1H3/t30-/m0/s1
InChIKeyISKARJBSUFEKJE-PMERELPUSA-N
XLogP6.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(hydroperoxymethyl)phenyl]-phenylmethanone
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[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
[4-(methyltellurinylmethyl)phenyl]-phenylmethanone
CID 175127821
[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone
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diphenylmethanone;gold
CID 174931146
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CID 19380838

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone (CID 122370322) is [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone is C[C@@]1(Cc2ccc(C(=O)c3ccccc3)cc2)CCC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone?
The InChIKey is ISKARJBSUFEKJE-PMERELPUSA-N. The full InChI is InChI=1S/C31H28O2/c1-30(23-24-17-19-26(20-18-24)29(32)25-11-5-2-6-12-25)21-22-31(33-30,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20H,21-23H2,1H3/t30-/m0/s1.
What are the key properties of [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone?
[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone has a molecular weight of 432.56 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 122370322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).