1-chloro-4-ethyl-2,5-dimethoxybenzene

C10H13ClO2 — CID 71132798

IUPAC1-chloro-4-ethyl-2,5-dimethoxybenzene
SMILESCCc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C10H13ClO2/c1-4-7-5-10(13-3)8(11)6-9(7)12-2/h5-6H,4H2,1-3H3
InChIKeyZOFIROKVACDJIR-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.92
Rot. Bonds3

About 1-chloro-4-ethyl-2,5-dimethoxybenzene

1-chloro-4-ethyl-2,5-dimethoxybenzene (PubChem CID 71132798) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 1-chloro-4-ethyl-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-chloro-4-ethyl-2,5-dimethoxybenzene
PubChem CID71132798
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name1-chloro-4-ethyl-2,5-dimethoxybenzene
SMILESCCc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C10H13ClO2/c1-4-7-5-10(13-3)8(11)6-9(7)12-2/h5-6H,4H2,1-3H3
InChIKeyZOFIROKVACDJIR-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 88950552
CID 88950552
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748
2-(5-chloro-2-ethyl-4-methoxyphenyl)ethanol
CID 117306101
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
2-(5-chloro-2-ethyl-4-methoxyphenyl)-2-oxoacetic acid
CID 117358488
2,5-diethyl-4-methoxyphenol
CID 162375149
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)butan-2-one
CID 83969938
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethyl-2,5-dimethoxybenzene?
The IUPAC name of 1-chloro-4-ethyl-2,5-dimethoxybenzene (CID 71132798) is 1-chloro-4-ethyl-2,5-dimethoxybenzene.
What is the SMILES notation for 1-chloro-4-ethyl-2,5-dimethoxybenzene?
The canonical SMILES for 1-chloro-4-ethyl-2,5-dimethoxybenzene is CCc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-chloro-4-ethyl-2,5-dimethoxybenzene?
The InChIKey is ZOFIROKVACDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-4-7-5-10(13-3)8(11)6-9(7)12-2/h5-6H,4H2,1-3H3.
What are the key properties of 1-chloro-4-ethyl-2,5-dimethoxybenzene?
1-chloro-4-ethyl-2,5-dimethoxybenzene has a molecular weight of 200.66 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethyl-2,5-dimethoxybenzene is sourced from PubChem (CID 71132798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).