1,5-dichloro-3-methoxy-2-methylbenzene

C8H8Cl2O — CID 23462582

IUPAC1,5-dichloro-3-methoxy-2-methylbenzene
SMILESCOc1cc(Cl)cc(Cl)c1C
InChIInChI=1S/C8H8Cl2O/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,1-2H3
InChIKeyXZZMTXDAMUGXEB-UHFFFAOYSA-N
MW191.06 g/mol
LogP3.31
Rot. Bonds1

About 1,5-dichloro-3-methoxy-2-methylbenzene

1,5-dichloro-3-methoxy-2-methylbenzene (PubChem CID 23462582) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 1,5-dichloro-3-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1,5-dichloro-3-methoxy-2-methylbenzene
PubChem CID23462582
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name1,5-dichloro-3-methoxy-2-methylbenzene
SMILESCOc1cc(Cl)cc(Cl)c1C
InChIInChI=1S/C8H8Cl2O/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,1-2H3
InChIKeyXZZMTXDAMUGXEB-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-methoxy-2-methylaniline
CID 97179579
5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine
CID 117304795
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406
2,4-dichloro-6-methoxybenzenesulfonyl chloride
CID 18981628
2,4-dichloro-6-methoxybenzamide
CID 118588801
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
4-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328078
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
CID 117327645
3-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328028

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-methoxy-2-methylbenzene?
The IUPAC name of 1,5-dichloro-3-methoxy-2-methylbenzene (CID 23462582) is 1,5-dichloro-3-methoxy-2-methylbenzene.
What is the SMILES notation for 1,5-dichloro-3-methoxy-2-methylbenzene?
The canonical SMILES for 1,5-dichloro-3-methoxy-2-methylbenzene is COc1cc(Cl)cc(Cl)c1C.
What is the InChIKey of 1,5-dichloro-3-methoxy-2-methylbenzene?
The InChIKey is XZZMTXDAMUGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,1-2H3.
What are the key properties of 1,5-dichloro-3-methoxy-2-methylbenzene?
1,5-dichloro-3-methoxy-2-methylbenzene has a molecular weight of 191.06 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-methoxy-2-methylbenzene is sourced from PubChem (CID 23462582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).