1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol

C15H14Cl4O2 — CID 159078208

IUPAC1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
SMILESCOc1c(C)ccc(Cl)c1Cl.Cc1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C8H8Cl2O.C7H6Cl2O/c1-5-3-4-6(9)7(10)8(5)11-2;1-4-2-3-5(8)6(9)7(4)10/h3-4H,1-2H3;2-3,10H,1H3
InChIKeyKANBLEGGNYZJDO-UHFFFAOYSA-N
MW368.09 g/mol
LogP6.32
Rot. Bonds1

About 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol

1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol (PubChem CID 159078208) has the molecular formula C15H14Cl4O2 and a molecular weight of 368.09 g/mol. Its IUPAC name is 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol.

Molecular Properties

Compound Name1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
PubChem CID159078208
Molecular FormulaC15H14Cl4O2
Molecular Weight368.09 g/mol
Exact Mass365.97
IUPAC Name1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
SMILESCOc1c(C)ccc(Cl)c1Cl.Cc1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C8H8Cl2O.C7H6Cl2O/c1-5-3-4-6(9)7(10)8(5)11-2;1-4-2-3-5(8)6(9)7(4)10/h3-4H,1-2H3;2-3,10H,1H3
InChIKeyKANBLEGGNYZJDO-UHFFFAOYSA-N
XLogP6.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.09
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol
CID 143347390
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
(2,3-dichloro-6-methylphenyl) acetate
CID 59058146
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
4-chloro-2-methoxy-3-methylphenol
CID 124706065
3-chloro-2-methoxy-6-methylbenzenethiol
CID 91874666
(2-chloro-3-methoxy-4-methylphenyl)methanamine
CID 83828901
2-chloro-3-methoxy-4-methylbenzonitrile
CID 117278975
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
CID 117289652
1-bromo-2,5-dichloro-3-(6-chloro-2-fluoro-3-methylphenoxy)benzene;6-chloro-2-fluoro-3-methylphenol
CID 158618289
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol?
The IUPAC name of 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol (CID 159078208) is 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol.
What is the SMILES notation for 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol?
The canonical SMILES for 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol is COc1c(C)ccc(Cl)c1Cl.Cc1ccc(Cl)c(Cl)c1O.
What is the InChIKey of 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol?
The InChIKey is KANBLEGGNYZJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O.C7H6Cl2O/c1-5-3-4-6(9)7(10)8(5)11-2;1-4-2-3-5(8)6(9)7(4)10/h3-4H,1-2H3;2-3,10H,1H3.
What are the key properties of 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol?
1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol has a molecular weight of 368.09 g/mol, XLogP of 6.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol is sourced from PubChem (CID 159078208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).