3,5-dichloro-2-propoxyphenol

C9H10Cl2O2 — CID 82267104

IUPAC3,5-dichloro-2-propoxyphenol
SMILESCCCOc1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h4-5,12H,2-3H2,1H3
InChIKeyXMKNQYKJAISRCY-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.49
Rot. Bonds3

About 3,5-dichloro-2-propoxyphenol

3,5-dichloro-2-propoxyphenol (PubChem CID 82267104) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 3,5-dichloro-2-propoxyphenol.

Molecular Properties

Compound Name3,5-dichloro-2-propoxyphenol
PubChem CID82267104
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name3,5-dichloro-2-propoxyphenol
SMILESCCCOc1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h4-5,12H,2-3H2,1H3
InChIKeyXMKNQYKJAISRCY-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959054
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
4-butoxy-3,5-dichlorophenol
CID 91234331
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-propoxyphenol?
The IUPAC name of 3,5-dichloro-2-propoxyphenol (CID 82267104) is 3,5-dichloro-2-propoxyphenol.
What is the SMILES notation for 3,5-dichloro-2-propoxyphenol?
The canonical SMILES for 3,5-dichloro-2-propoxyphenol is CCCOc1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-propoxyphenol?
The InChIKey is XMKNQYKJAISRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h4-5,12H,2-3H2,1H3.
What are the key properties of 3,5-dichloro-2-propoxyphenol?
3,5-dichloro-2-propoxyphenol has a molecular weight of 221.08 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-propoxyphenol is sourced from PubChem (CID 82267104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).