1-(3,5-dichloro-2-methoxyphenyl)ethanol

C9H10Cl2O2 — CID 82267021

IUPAC1-(3,5-dichloro-2-methoxyphenyl)ethanol
SMILESCOc1c(Cl)cc(Cl)cc1C(C)O
InChIInChI=1S/C9H10Cl2O2/c1-5(12)7-3-6(10)4-8(11)9(7)13-2/h3-5,12H,1-2H3
InChIKeyPPNWFJOZIAWQBI-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.06
Rot. Bonds2

About 1-(3,5-dichloro-2-methoxyphenyl)ethanol

1-(3,5-dichloro-2-methoxyphenyl)ethanol (PubChem CID 82267021) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)ethanol
PubChem CID82267021
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)ethanol
SMILESCOc1c(Cl)cc(Cl)cc1C(C)O
InChIInChI=1S/C9H10Cl2O2/c1-5(12)7-3-6(10)4-8(11)9(7)13-2/h3-5,12H,1-2H3
InChIKeyPPNWFJOZIAWQBI-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311
1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
CID 116830202
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
CID 116964127
2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
CID 83941077
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)ethanol (CID 82267021) is 1-(3,5-dichloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)ethanol is COc1c(Cl)cc(Cl)cc1C(C)O.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)ethanol?
The InChIKey is PPNWFJOZIAWQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-5(12)7-3-6(10)4-8(11)9(7)13-2/h3-5,12H,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)ethanol?
1-(3,5-dichloro-2-methoxyphenyl)ethanol has a molecular weight of 221.08 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 82267021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).