1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol

C32H30O2 — CID 67858306

IUPAC1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol
SMILESC=CCc1ccccc1C(O)(c1ccccc1CC=C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H30O2/c1-3-15-25-17-11-13-23-29(25)32(34,30-24-14-12-18-26(30)16-4-2)31(33,27-19-7-5-8-20-27)28-21-9-6-10-22-28/h3-14,17-24,33-34H,1-2,15-16H2
InChIKeyCLCVVSKEGRUSBK-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.32
Rot. Bonds9

About 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol

1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol (PubChem CID 67858306) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol
PubChem CID67858306
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol
SMILESC=CCc1ccccc1C(O)(c1ccccc1CC=C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H30O2/c1-3-15-25-17-11-13-23-29(25)32(34,30-24-14-12-18-26(30)16-4-2)31(33,27-19-7-5-8-20-27)28-21-9-6-10-22-28/h3-14,17-24,33-34H,1-2,15-16H2
InChIKeyCLCVVSKEGRUSBK-UHFFFAOYSA-N
XLogP6.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol
CID 170148397
[2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoyl] 2,3-dihydroxy-2-(2-prop-2-enylphenyl)propanoate
CID 141420240
2-prop-2-enyl-2-(2-prop-2-enylphenyl)pent-4-en-1-amine
CID 175263353
2-tert-butylphenol;2-prop-2-enylphenol
CID 88688446
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
2-prop-2-enylbenzoic acid
CID 2752991
1-phenylbut-3-ene-1,1-diol
CID 134892936
diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol
CID 70426387
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
boric acid;2-prop-2-enylphenol
CID 70457137
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol?
The IUPAC name of 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol (CID 67858306) is 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol?
The canonical SMILES for 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol is C=CCc1ccccc1C(O)(c1ccccc1CC=C)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol?
The InChIKey is CLCVVSKEGRUSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O2/c1-3-15-25-17-11-13-23-29(25)32(34,30-24-14-12-18-26(30)16-4-2)31(33,27-19-7-5-8-20-27)28-21-9-6-10-22-28/h3-14,17-24,33-34H,1-2,15-16H2.
What are the key properties of 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol?
1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol has a molecular weight of 446.59 g/mol, XLogP of 6.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol is sourced from PubChem (CID 67858306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).