1-chloro-2-ethyl-3-fluoro-4-methoxybenzene

C9H10ClFO — CID 118261733

IUPAC1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
SMILESCCc1c(Cl)ccc(OC)c1F
InChIInChI=1S/C9H10ClFO/c1-3-6-7(10)4-5-8(12-2)9(6)11/h4-5H,3H2,1-2H3
InChIKeyFOFAMLSLEZPBQU-UHFFFAOYSA-N
MW188.63 g/mol
LogP3.05
Rot. Bonds2

About 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene

1-chloro-2-ethyl-3-fluoro-4-methoxybenzene (PubChem CID 118261733) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
PubChem CID118261733
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
SMILESCCc1c(Cl)ccc(OC)c1F
InChIInChI=1S/C9H10ClFO/c1-3-6-7(10)4-5-8(12-2)9(6)11/h4-5H,3H2,1-2H3
InChIKeyFOFAMLSLEZPBQU-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
ethyl 2-amino-3-(6-chloro-2-fluoro-3-methoxyphenyl)propanoate
CID 170885238
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
CID 18466568
2-bromo-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 171007152
1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene
CID 177012995
5-chloro-4-ethyl-3-methoxy-1-benzothiophene
CID 131096691
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
4-chloro-3-ethyl-2-fluorobenzoic acid
CID 171366815
(1S,6R)-3-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133130442

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene?
The IUPAC name of 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene (CID 118261733) is 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene?
The canonical SMILES for 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene is CCc1c(Cl)ccc(OC)c1F.
What is the InChIKey of 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene?
The InChIKey is FOFAMLSLEZPBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-3-6-7(10)4-5-8(12-2)9(6)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-chloro-2-ethyl-3-fluoro-4-methoxybenzene?
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene has a molecular weight of 188.63 g/mol, XLogP of 3.05, 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-3-fluoro-4-methoxybenzene is sourced from PubChem (CID 118261733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).