1-chloro-2-ethoxy-4-methoxy-5-methylbenzene

C10H13ClO2 — CID 71068382

IUPAC1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
SMILESCCOc1cc(OC)c(C)cc1Cl
InChIInChI=1S/C10H13ClO2/c1-4-13-10-6-9(12-3)7(2)5-8(10)11/h5-6H,4H2,1-3H3
InChIKeyRGOHZBQQXSBIPW-UHFFFAOYSA-N
MW200.66 g/mol
LogP3.06
Rot. Bonds3

About 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene

1-chloro-2-ethoxy-4-methoxy-5-methylbenzene (PubChem CID 71068382) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
PubChem CID71068382
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
SMILESCCOc1cc(OC)c(C)cc1Cl
InChIInChI=1S/C10H13ClO2/c1-4-13-10-6-9(12-3)7(2)5-8(10)11/h5-6H,4H2,1-3H3
InChIKeyRGOHZBQQXSBIPW-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
ethyl 2-(5-chloro-2-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 117462293
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
5-chloro-2-ethoxy-4-methoxybenzenesulfonamide
CID 23285648
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
5-chloro-4-ethoxy-2-methylbenzenesulfinic acid
CID 82476073
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene?
The IUPAC name of 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene (CID 71068382) is 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene.
What is the SMILES notation for 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene?
The canonical SMILES for 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene is CCOc1cc(OC)c(C)cc1Cl.
What is the InChIKey of 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene?
The InChIKey is RGOHZBQQXSBIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-4-13-10-6-9(12-3)7(2)5-8(10)11/h5-6H,4H2,1-3H3.
What are the key properties of 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene?
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene has a molecular weight of 200.66 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-4-methoxy-5-methylbenzene is sourced from PubChem (CID 71068382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).