1,1-bis(4-chlorophenyl)-2-ethoxyethanol

C16H16Cl2O2 — CID 22342

IUPAC1,1-bis(4-chlorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-2-20-11-16(19,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,19H,2,11H2,1H3
InChIKeyCPZLRDXKLHKMQX-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.27
Rot. Bonds5

About 1,1-bis(4-chlorophenyl)-2-ethoxyethanol

1,1-bis(4-chlorophenyl)-2-ethoxyethanol (PubChem CID 22342) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-ethoxyethanol
PubChem CID22342
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1,1-bis(4-chlorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O2/c1-2-20-11-16(19,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,19H,2,11H2,1H3
InChIKeyCPZLRDXKLHKMQX-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dicofol
CID 8268
Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
1,1-Bis(4-chlorophenyl)ethanol
CID 6624
Phenaglycodol
CID 6617
Fenpentadiol
CID 85896
Tris(4-chlorophenyl)methanol
CID 76379
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Clobuzarit
CID 71697
Proclonol
CID 26450
2-(3-Chlorophenyl)-3-methyl-2,3-butanediol
CID 26369

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-ethoxyethanol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-ethoxyethanol (CID 22342) is 1,1-bis(4-chlorophenyl)-2-ethoxyethanol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-ethoxyethanol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-ethoxyethanol is CCOCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-ethoxyethanol?
The InChIKey is CPZLRDXKLHKMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-2-20-11-16(19,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,19H,2,11H2,1H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-ethoxyethanol?
1,1-bis(4-chlorophenyl)-2-ethoxyethanol has a molecular weight of 311.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-ethoxyethanol is sourced from PubChem (CID 22342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).