1,2-dichloro-3-methyl-4-propoxybenzene

C10H12Cl2O — CID 156723250

IUPAC1,2-dichloro-3-methyl-4-propoxybenzene
SMILESCCCOc1ccc(Cl)c(Cl)c1C
InChIInChI=1S/C10H12Cl2O/c1-3-6-13-9-5-4-8(11)10(12)7(9)2/h4-5H,3,6H2,1-2H3
InChIKeyPKZCVUYRTHJCHR-UHFFFAOYSA-N
MW219.11 g/mol
LogP4.09
Rot. Bonds3

About 1,2-dichloro-3-methyl-4-propoxybenzene

1,2-dichloro-3-methyl-4-propoxybenzene (PubChem CID 156723250) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1,2-dichloro-3-methyl-4-propoxybenzene.

Molecular Properties

Compound Name1,2-dichloro-3-methyl-4-propoxybenzene
PubChem CID156723250
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1,2-dichloro-3-methyl-4-propoxybenzene
SMILESCCCOc1ccc(Cl)c(Cl)c1C
InChIInChI=1S/C10H12Cl2O/c1-3-6-13-9-5-4-8(11)10(12)7(9)2/h4-5H,3,6H2,1-2H3
InChIKeyPKZCVUYRTHJCHR-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trichloro-4-pentoxybenzene
CID 101293544
1,2,3-trichloro-4-octoxybenzene
CID 23191648
2-methyl-3-propoxyaniline
CID 23134606
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
CID 174570347
CID 174570347
N-ethyl-2,3-dimethyl-4-propoxyaniline
CID 82266389
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
4-chloro-N-ethyl-3-propoxyaniline
CID 143061736

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methyl-4-propoxybenzene?
The IUPAC name of 1,2-dichloro-3-methyl-4-propoxybenzene (CID 156723250) is 1,2-dichloro-3-methyl-4-propoxybenzene.
What is the SMILES notation for 1,2-dichloro-3-methyl-4-propoxybenzene?
The canonical SMILES for 1,2-dichloro-3-methyl-4-propoxybenzene is CCCOc1ccc(Cl)c(Cl)c1C.
What is the InChIKey of 1,2-dichloro-3-methyl-4-propoxybenzene?
The InChIKey is PKZCVUYRTHJCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-3-6-13-9-5-4-8(11)10(12)7(9)2/h4-5H,3,6H2,1-2H3.
What are the key properties of 1,2-dichloro-3-methyl-4-propoxybenzene?
1,2-dichloro-3-methyl-4-propoxybenzene has a molecular weight of 219.11 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methyl-4-propoxybenzene is sourced from PubChem (CID 156723250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).