1-chloro-5-methoxy-2,4-dimethylbenzene

C9H11ClO — CID 18683267

IUPAC1-chloro-5-methoxy-2,4-dimethylbenzene
SMILESCOc1cc(Cl)c(C)cc1C
InChIInChI=1S/C9H11ClO/c1-6-4-7(2)9(11-3)5-8(6)10/h4-5H,1-3H3
InChIKeyVRARKRQZBRXHKJ-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.97
Rot. Bonds1

About 1-chloro-5-methoxy-2,4-dimethylbenzene

1-chloro-5-methoxy-2,4-dimethylbenzene (PubChem CID 18683267) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-chloro-5-methoxy-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-5-methoxy-2,4-dimethylbenzene
PubChem CID18683267
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name1-chloro-5-methoxy-2,4-dimethylbenzene
SMILESCOc1cc(Cl)c(C)cc1C
InChIInChI=1S/C9H11ClO/c1-6-4-7(2)9(11-3)5-8(6)10/h4-5H,1-3H3
InChIKeyVRARKRQZBRXHKJ-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methoxy-2,4-dimethylbenzene?
The IUPAC name of 1-chloro-5-methoxy-2,4-dimethylbenzene (CID 18683267) is 1-chloro-5-methoxy-2,4-dimethylbenzene.
What is the SMILES notation for 1-chloro-5-methoxy-2,4-dimethylbenzene?
The canonical SMILES for 1-chloro-5-methoxy-2,4-dimethylbenzene is COc1cc(Cl)c(C)cc1C.
What is the InChIKey of 1-chloro-5-methoxy-2,4-dimethylbenzene?
The InChIKey is VRARKRQZBRXHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-6-4-7(2)9(11-3)5-8(6)10/h4-5H,1-3H3.
What are the key properties of 1-chloro-5-methoxy-2,4-dimethylbenzene?
1-chloro-5-methoxy-2,4-dimethylbenzene has a molecular weight of 170.64 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methoxy-2,4-dimethylbenzene is sourced from PubChem (CID 18683267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).