1-chloro-2-ethyl-4-methoxy-3-methylbenzene

C10H13ClO — CID 118491478

IUPAC1-chloro-2-ethyl-4-methoxy-3-methylbenzene
SMILESCCc1c(Cl)ccc(OC)c1C
InChIInChI=1S/C10H13ClO/c1-4-8-7(2)10(12-3)6-5-9(8)11/h5-6H,4H2,1-3H3
InChIKeyZMECZAPTHPDNLJ-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.22
Rot. Bonds2

About 1-chloro-2-ethyl-4-methoxy-3-methylbenzene

1-chloro-2-ethyl-4-methoxy-3-methylbenzene (PubChem CID 118491478) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-chloro-2-ethyl-4-methoxy-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-ethyl-4-methoxy-3-methylbenzene
PubChem CID118491478
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-chloro-2-ethyl-4-methoxy-3-methylbenzene
SMILESCCc1c(Cl)ccc(OC)c1C
InChIInChI=1S/C10H13ClO/c1-4-8-7(2)10(12-3)6-5-9(8)11/h5-6H,4H2,1-3H3
InChIKeyZMECZAPTHPDNLJ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
5-chloro-4-ethyl-3-methoxy-1-benzothiophene
CID 131096691
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
1-chloro-3-iodo-4-methoxy-2-methylbenzene
CID 91025767
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
(6-chloro-3-methoxy-2-methylphenyl)hydrazine
CID 176780668
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
(6-chloro-2-iodo-3-methoxyphenyl)methanol
CID 171002946
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-4-methoxy-3-methylbenzene?
The IUPAC name of 1-chloro-2-ethyl-4-methoxy-3-methylbenzene (CID 118491478) is 1-chloro-2-ethyl-4-methoxy-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-ethyl-4-methoxy-3-methylbenzene?
The canonical SMILES for 1-chloro-2-ethyl-4-methoxy-3-methylbenzene is CCc1c(Cl)ccc(OC)c1C.
What is the InChIKey of 1-chloro-2-ethyl-4-methoxy-3-methylbenzene?
The InChIKey is ZMECZAPTHPDNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-4-8-7(2)10(12-3)6-5-9(8)11/h5-6H,4H2,1-3H3.
What are the key properties of 1-chloro-2-ethyl-4-methoxy-3-methylbenzene?
1-chloro-2-ethyl-4-methoxy-3-methylbenzene has a molecular weight of 184.67 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-4-methoxy-3-methylbenzene is sourced from PubChem (CID 118491478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).