3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol

C10H10Cl2O — CID 79335243

IUPAC3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1ccc(Cl)c(Cl)c1)CO
InChIInChI=1S/C10H10Cl2O/c1-7(6-13)4-8-2-3-9(11)10(12)5-8/h2-5,13H,6H2,1H3
InChIKeyMSJWOXRSKFIHEJ-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.39
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol

3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol (PubChem CID 79335243) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
PubChem CID79335243
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1ccc(Cl)c(Cl)c1)CO
InChIInChI=1S/C10H10Cl2O/c1-7(6-13)4-8-2-3-9(11)10(12)5-8/h2-5,13H,6H2,1H3
InChIKeyMSJWOXRSKFIHEJ-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-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79335022
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
CID 12922166
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
2-fluoro-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenol
CID 107693855
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79334453
(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol
CID 143128827
3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462311
(Z)-3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 131431095
2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile
CID 107937049

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol (CID 79335243) is 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol is CC(=Cc1ccc(Cl)c(Cl)c1)CO.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is MSJWOXRSKFIHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-7(6-13)4-8-2-3-9(11)10(12)5-8/h2-5,13H,6H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol?
3-(3,4-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-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79335243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).