1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene

C10H10Cl2O — CID 572020

IUPAC1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
SMILESCc1ccc(OCC(Cl)=CCl)cc1
InChIInChI=1S/C10H10Cl2O/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-6H,7H2,1H3
InChIKeyBTHBKVZSUAZECZ-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.69
Rot. Bonds3

About 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene

1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene (PubChem CID 572020) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
PubChem CID572020
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
SMILESCc1ccc(OCC(Cl)=CCl)cc1
InChIInChI=1S/C10H10Cl2O/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-6H,7H2,1H3
InChIKeyBTHBKVZSUAZECZ-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79168187
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]phenyl]propan-2-ol
CID 115495734
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 80979145
2,3-dichloro-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-en-1-amine
CID 79168016
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
2-(4-methylphenoxy)ethanethioamide
CID 7745454
1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
CID 88575510
(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718553
1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane
CID 142879845
lithium 2-(4-methylphenoxy)acetate
CID 19205665

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene?
The IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene (CID 572020) is 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene?
The canonical SMILES for 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene is Cc1ccc(OCC(Cl)=CCl)cc1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene?
The InChIKey is BTHBKVZSUAZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-6H,7H2,1H3.
What are the key properties of 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene?
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene has a molecular weight of 217.09 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene is sourced from PubChem (CID 572020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).