1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol

C15H16Cl2O2 — CID 68820017

IUPAC1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol
SMILESCOc1cc(C)ccc1Cl.Cc1ccc(Cl)c(O)c1
InChIInChI=1S/C8H9ClO.C7H7ClO/c1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-6(8)7(9)4-5/h3-5H,1-2H3;2-4,9H,1H3
InChIKeySMMZUOOBORCPEO-UHFFFAOYSA-N
MW299.20 g/mol
LogP5.01
Rot. Bonds1

About 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol

1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol (PubChem CID 68820017) has the molecular formula C15H16Cl2O2 and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol.

Molecular Properties

Compound Name1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol
PubChem CID68820017
Molecular FormulaC15H16Cl2O2
Molecular Weight299.20 g/mol
Exact Mass298.05
IUPAC Name1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol
SMILESCOc1cc(C)ccc1Cl.Cc1ccc(Cl)c(O)c1
InChIInChI=1S/C8H9ClO.C7H7ClO/c1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-6(8)7(9)4-5/h3-5H,1-2H3;2-4,9H,1H3
InChIKeySMMZUOOBORCPEO-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.20
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
4-chloro-5-methoxy-2-methylphenol
CID 21341377
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341
2-[(5-chloro-2,4-dimethoxyanilino)methyl]-4-methylphenol
CID 63323505
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
(2-chloro-5-methylphenyl) hydrogen sulfite
CID 174462523
2-chloro-5-(4-methylphenoxy)phenol
CID 70825108

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol?
The IUPAC name of 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol (CID 68820017) is 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol.
What is the SMILES notation for 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol?
The canonical SMILES for 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol is COc1cc(C)ccc1Cl.Cc1ccc(Cl)c(O)c1.
What is the InChIKey of 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol?
The InChIKey is SMMZUOOBORCPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C7H7ClO/c1-6-3-4-7(9)8(5-6)10-2;1-5-2-3-6(8)7(9)4-5/h3-5H,1-2H3;2-4,9H,1H3.
What are the key properties of 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol?
1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol has a molecular weight of 299.20 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol is sourced from PubChem (CID 68820017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).