1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol

C22H22O2 — CID 3078708

IUPAC1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(O)c2ccccc2)cc1
InChIInChI=1S/C22H22O2/c1-16-8-12-19(13-9-16)22(24,20-14-10-17(2)11-15-20)21(23)18-6-4-3-5-7-18/h3-15,21,23-24H,1-2H3
InChIKeyDJENFIFQSSNDSL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.27
Rot. Bonds4

About 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol

1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol (PubChem CID 3078708) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol
PubChem CID3078708
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(O)c2ccccc2)cc1
InChIInChI=1S/C22H22O2/c1-16-8-12-19(13-9-16)22(24,20-14-10-17(2)11-15-20)21(23)18-6-4-3-5-7-18/h3-15,21,23-24H,1-2H3
InChIKeyDJENFIFQSSNDSL-UHFFFAOYSA-N
XLogP4.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
Triphenylcarbinol
CID 6457
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
Benzopinacol
CID 94766
Hydrobenzoin
CID 95447
1,1,2-Triphenylethanol
CID 245013
9,10-Dihydro-9,10-phenanthrenediol
CID 99889
Bay 27-9955
CID 5311277
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
(R,R)-Hydrobenzoin
CID 853019
(1,1'-Biphenyl)-4-methanol
CID 19186
4,4',4''-Trimethyltrityl alcohol
CID 76733

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol?
The IUPAC name of 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol (CID 3078708) is 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol.
What is the SMILES notation for 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol?
The canonical SMILES for 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol is Cc1ccc(C(O)(c2ccc(C)cc2)C(O)c2ccccc2)cc1.
What is the InChIKey of 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol?
The InChIKey is DJENFIFQSSNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-16-8-12-19(13-9-16)22(24,20-14-10-17(2)11-15-20)21(23)18-6-4-3-5-7-18/h3-15,21,23-24H,1-2H3.
What are the key properties of 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol?
1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol has a molecular weight of 318.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methylphenyl)-2-phenylethane-1,2-diol is sourced from PubChem (CID 3078708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).