2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol

C16H16Cl2O2 — CID 106790756

IUPAC2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)ccc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2O2/c1-10-3-5-13(16(7-10)20-2)15(19)9-11-8-12(17)4-6-14(11)18/h3-8,15,19H,9H2,1-2H3
InChIKeyVJHVWKCFBWAOOP-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.59
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol

2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol (PubChem CID 106790756) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
PubChem CID106790756
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)ccc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2O2/c1-10-3-5-13(16(7-10)20-2)15(19)9-11-8-12(17)4-6-14(11)18/h3-8,15,19H,9H2,1-2H3
InChIKeyVJHVWKCFBWAOOP-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790809
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2,6-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791042
2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol (CID 106790756) is 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol is COc1cc(C)ccc1C(O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
The InChIKey is VJHVWKCFBWAOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-10-3-5-13(16(7-10)20-2)15(19)9-11-8-12(17)4-6-14(11)18/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol?
2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol has a molecular weight of 311.21 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 106790756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).