2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol

C9H9Cl2FO2 — CID 164892453

IUPAC2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)C(Cl)Cl)ccc1F
InChIInChI=1S/C9H9Cl2FO2/c1-14-7-4-5(2-3-6(7)12)8(13)9(10)11/h2-4,8-9,13H,1H3
InChIKeyDUXWDCHUWXCOAN-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.67
Rot. Bonds3

About 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol

2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol (PubChem CID 164892453) has the molecular formula C9H9Cl2FO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
PubChem CID164892453
Molecular FormulaC9H9Cl2FO2
Molecular Weight239.07 g/mol
Exact Mass238.00
IUPAC Name2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)C(Cl)Cl)ccc1F
InChIInChI=1S/C9H9Cl2FO2/c1-14-7-4-5(2-3-6(7)12)8(13)9(10)11/h2-4,8-9,13H,1H3
InChIKeyDUXWDCHUWXCOAN-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanol
CID 164892730
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81285176
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879803
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
1-(4-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816783
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol (CID 164892453) is 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol is COc1cc(C(O)C(Cl)Cl)ccc1F.
What is the InChIKey of 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is DUXWDCHUWXCOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO2/c1-14-7-4-5(2-3-6(7)12)8(13)9(10)11/h2-4,8-9,13H,1H3.
What are the key properties of 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol?
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 239.07 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 164892453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).