1-chloro-4-methoxy-2,3-dimethylbenzene

C9H11ClO — CID 12657711

IUPAC1-chloro-4-methoxy-2,3-dimethylbenzene
SMILESCOc1ccc(Cl)c(C)c1C
InChIInChI=1S/C9H11ClO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3
InChIKeyHHBADVDGSLERMV-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.97
Rot. Bonds1

About 1-chloro-4-methoxy-2,3-dimethylbenzene

1-chloro-4-methoxy-2,3-dimethylbenzene (PubChem CID 12657711) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-2,3-dimethylbenzene
PubChem CID12657711
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name1-chloro-4-methoxy-2,3-dimethylbenzene
SMILESCOc1ccc(Cl)c(C)c1C
InChIInChI=1S/C9H11ClO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3
InChIKeyHHBADVDGSLERMV-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

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CID 76269
4-Chloro-2-methylanisole
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1-Chloro-4-methoxy-2-methylbenzene
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Phenol, chlorodimethyl-
CID 74075
3-Chloro-2-methylanisole
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Halogenated Helianane
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4-Chloro-3,5-dimethylanisole
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4-Chloro-3-(trifluoromethyl)anisole
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2-(Bromomethyl)-4-chloro-1-methoxybenzene
CID 15462812
4-Chloro-2-ethynyl-1-methoxybenzene
CID 23260703
1-Chloro-4-(difluoromethoxy)-2-ethylbenzene
CID 2119406
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CID 12394880

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2,3-dimethylbenzene?
The IUPAC name of 1-chloro-4-methoxy-2,3-dimethylbenzene (CID 12657711) is 1-chloro-4-methoxy-2,3-dimethylbenzene.
What is the SMILES notation for 1-chloro-4-methoxy-2,3-dimethylbenzene?
The canonical SMILES for 1-chloro-4-methoxy-2,3-dimethylbenzene is COc1ccc(Cl)c(C)c1C.
What is the InChIKey of 1-chloro-4-methoxy-2,3-dimethylbenzene?
The InChIKey is HHBADVDGSLERMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3.
What are the key properties of 1-chloro-4-methoxy-2,3-dimethylbenzene?
1-chloro-4-methoxy-2,3-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-4-methoxy-2,3-dimethylbenzene is sourced from PubChem (CID 12657711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).