3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol

C10H10Cl2O — CID 79334453

IUPAC3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1c(Cl)cccc1Cl)CO
InChIInChI=1S/C10H10Cl2O/c1-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-5,13H,6H2,1H3
InChIKeyLAVIRVJDXHDXLS-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.39
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol

3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol (PubChem CID 79334453) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol
PubChem CID79334453
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1c(Cl)cccc1Cl)CO
InChIInChI=1S/C10H10Cl2O/c1-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-5,13H,6H2,1H3
InChIKeyLAVIRVJDXHDXLS-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dichlorophenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 173463121
2-[(2,6-dichlorophenyl)methylidene]butan-1-ol
CID 79335321
(Z)-3-(3-chloro-2-fluorophenyl)-2-methylprop-2-en-1-ol
CID 114489311
1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
CID 134266599
3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79335243
(2E)-2-[(2,6-dichlorophenyl)methylidene]butanoic acid
CID 90018909
3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79335022
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine
CID 79329244
1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene
CID 175008181
2,6-dichlorobenzaldehyde;ethane
CID 90823593

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol (CID 79334453) is 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol is CC(=Cc1c(Cl)cccc1Cl)CO.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is LAVIRVJDXHDXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-5,13H,6H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol?
3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol has a molecular weight of 217.09 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79334453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).