1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol

C18H21ClO — CID 115484564

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(C)c(C)cc2Cl)cc1C
InChIInChI=1S/C18H21ClO/c1-11-5-6-15(7-12(11)2)10-18(20)16-8-13(3)14(4)9-17(16)19/h5-9,18,20H,10H2,1-4H3
InChIKeyKZHSSPUHMDBLNK-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.85
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol

1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 115484564) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID115484564
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(C)c(C)cc2Cl)cc1C
InChIInChI=1S/C18H21ClO/c1-11-5-6-15(7-12(11)2)10-18(20)16-8-13(3)14(4)9-17(16)19/h5-9,18,20H,10H2,1-4H3
InChIKeyKZHSSPUHMDBLNK-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 81117922
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 80533300
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
CID 115484513
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63428538
2-(3,4-dimethylphenyl)-1-(4-iodophenyl)ethanol
CID 63519463

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol (CID 115484564) is 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(CC(O)c2cc(C)c(C)cc2Cl)cc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is KZHSSPUHMDBLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-11-5-6-15(7-12(11)2)10-18(20)16-8-13(3)14(4)9-17(16)19/h5-9,18,20H,10H2,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol?
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 288.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 115484564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).