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

C10H13ClO — CID 143804425

IUPAC1-chloro-2-ethoxy-3,4-dimethylbenzene
SMILESCCOc1c(Cl)ccc(C)c1C
InChIInChI=1S/C10H13ClO/c1-4-12-10-8(3)7(2)5-6-9(10)11/h5-6H,4H2,1-3H3
InChIKeyCIQRYILGCMTGPO-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.36
Rot. Bonds2

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

1-chloro-2-ethoxy-3,4-dimethylbenzene (PubChem CID 143804425) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-3,4-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethoxy-3,4-dimethylbenzene
PubChem CID143804425
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-chloro-2-ethoxy-3,4-dimethylbenzene
SMILESCCOc1c(Cl)ccc(C)c1C
InChIInChI=1S/C10H13ClO/c1-4-12-10-8(3)7(2)5-6-9(10)11/h5-6H,4H2,1-3H3
InChIKeyCIQRYILGCMTGPO-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
3-(6-chloro-2,3-dimethylphenoxy)propyl-methylazanium
CID 2199183
3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
CID 20690288
O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine
CID 117285502
CID 174673959
CID 174673959
1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
CID 164512715
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018
1-chloro-2-ethoxy-4-fluoro-3-methylsulfanylbenzene
CID 164893633
2-ethoxy-3-ethyl-1,4-dimethylbenzene
CID 145358805
3-chloro-5-ethoxy-4-[2-(2,3,6-trimethylphenoxy)ethoxy]benzonitrile
CID 22686794
3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
CID 171085182
ethyl 3-chloro-2-ethoxy-6-fluorobenzoate
CID 163198213

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethoxy-3,4-dimethylbenzene?
The IUPAC name of 1-chloro-2-ethoxy-3,4-dimethylbenzene (CID 143804425) is 1-chloro-2-ethoxy-3,4-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-ethoxy-3,4-dimethylbenzene?
The canonical SMILES for 1-chloro-2-ethoxy-3,4-dimethylbenzene is CCOc1c(Cl)ccc(C)c1C.
What is the InChIKey of 1-chloro-2-ethoxy-3,4-dimethylbenzene?
The InChIKey is CIQRYILGCMTGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-4-12-10-8(3)7(2)5-6-9(10)11/h5-6H,4H2,1-3H3.
What are the key properties of 1-chloro-2-ethoxy-3,4-dimethylbenzene?
1-chloro-2-ethoxy-3,4-dimethylbenzene has a molecular weight of 184.67 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-3,4-dimethylbenzene is sourced from PubChem (CID 143804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).