1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol

C15H13Cl3O — CID 107312550

IUPAC1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-5-6-11(13(17)7-9)14(19)8-10-3-2-4-12(16)15(10)18/h2-7,14,19H,8H2,1H3
InChIKeyNDIJEKVTGWSSMJ-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.23
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol

1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol (PubChem CID 107312550) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
PubChem CID107312550
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-5-6-11(13(17)7-9)14(19)8-10-3-2-4-12(16)15(10)18/h2-7,14,19H,8H2,1H3
InChIKeyNDIJEKVTGWSSMJ-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307604
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
1-(2-bromo-5-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312495
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 106859159
2-(2,3-dichlorophenyl)-1-(2-ethylphenyl)ethanol
CID 107307475
2-(2,3-dichlorophenyl)-1-(2,4-difluorophenyl)ethanol
CID 107307451
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
2-(2,3-dichlorophenyl)-1-(5-methylpyrimidin-2-yl)ethanol
CID 107308241
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol (CID 107312550) is 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol is Cc1ccc(C(O)Cc2cccc(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
The InChIKey is NDIJEKVTGWSSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-5-6-11(13(17)7-9)14(19)8-10-3-2-4-12(16)15(10)18/h2-7,14,19H,8H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol?
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol has a molecular weight of 315.63 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol is sourced from PubChem (CID 107312550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).