[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol

C11H12Cl2O2 — CID 79173873

IUPAC[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
SMILESCc1ccc(OCC(Cl)=CCl)c(CO)c1
InChIInChI=1S/C11H12Cl2O2/c1-8-2-3-11(9(4-8)6-14)15-7-10(13)5-12/h2-5,14H,6-7H2,1H3
InChIKeyRWMBVGSAPKRICT-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.19
Rot. Bonds4

About [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol

[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol (PubChem CID 79173873) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
PubChem CID79173873
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
SMILESCc1ccc(OCC(Cl)=CCl)c(CO)c1
InChIInChI=1S/C11H12Cl2O2/c1-8-2-3-11(9(4-8)6-14)15-7-10(13)5-12/h2-5,14H,6-7H2,1H3
InChIKeyRWMBVGSAPKRICT-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79173766
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 63325367
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
[5-methyl-2-(2-methylbutoxy)phenyl]methanol
CID 63325195
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol?
The IUPAC name of [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol (CID 79173873) is [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol.
What is the SMILES notation for [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol?
The canonical SMILES for [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol is Cc1ccc(OCC(Cl)=CCl)c(CO)c1.
What is the InChIKey of [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol?
The InChIKey is RWMBVGSAPKRICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-8-2-3-11(9(4-8)6-14)15-7-10(13)5-12/h2-5,14H,6-7H2,1H3.
What are the key properties of [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol?
[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol has a molecular weight of 247.12 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol is sourced from PubChem (CID 79173873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).