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

C9H10ClFO — CID 118261410

IUPAC3-chloro-2-ethyl-1-fluoro-4-methoxybenzene
SMILESCCc1c(F)ccc(OC)c1Cl
InChIInChI=1S/C9H10ClFO/c1-3-6-7(11)4-5-8(12-2)9(6)10/h4-5H,3H2,1-2H3
InChIKeyNOYVVHCTCMVZSU-UHFFFAOYSA-N
MW188.63 g/mol
LogP3.05
Rot. Bonds2

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

3-chloro-2-ethyl-1-fluoro-4-methoxybenzene (PubChem CID 118261410) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name3-chloro-2-ethyl-1-fluoro-4-methoxybenzene
PubChem CID118261410
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name3-chloro-2-ethyl-1-fluoro-4-methoxybenzene
SMILESCCc1c(F)ccc(OC)c1Cl
InChIInChI=1S/C9H10ClFO/c1-3-6-7(11)4-5-8(12-2)9(6)10/h4-5H,3H2,1-2H3
InChIKeyNOYVVHCTCMVZSU-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-Chloro-2-methoxy-4-methylbenzene
CID 99352
1-Chloro-4-methoxy-2-methylbenzene
CID 458156
3-Chloro-4-methoxytoluene
CID 140873
4-Chloro-3-(trifluoromethyl)anisole
CID 2773853
1-(1-Chloroethyl)-3-methoxybenzene
CID 12861413
1-Chloro-2-methoxy-4-(trifluoromethyl)benzene
CID 2773852
2-Chloro-6-fluoro-3-methoxybenzonitrile
CID 17750817
1-Chloro-4-(difluoromethoxy)-2-ethylbenzene
CID 2119406
1-Chloro-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 13648549
2-Chloro-4-fluoro-3-methoxy-1-methylbenzene
CID 2773658
Benzene, 1-chloro-3-fluoro-2-methoxy-4-methyl-
CID 2773659
2-Chloro-6-fluoro-3-methoxybenzyl bromide
CID 3863293

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene?
The IUPAC name of 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene (CID 118261410) is 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene.
What is the SMILES notation for 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene?
The canonical SMILES for 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene is CCc1c(F)ccc(OC)c1Cl.
What is the InChIKey of 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene?
The InChIKey is NOYVVHCTCMVZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-3-6-7(11)4-5-8(12-2)9(6)10/h4-5H,3H2,1-2H3.
What are the key properties of 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene?
3-chloro-2-ethyl-1-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 3-chloro-2-ethyl-1-fluoro-4-methoxybenzene is sourced from PubChem (CID 118261410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).