3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene

C11H14ClFO — CID 118259244

IUPAC3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene
SMILESCOc1ccc(F)c(CC(C)C)c1Cl
InChIInChI=1S/C11H14ClFO/c1-7(2)6-8-9(13)4-5-10(14-3)11(8)12/h4-5,7H,6H2,1-3H3
InChIKeyFNSFUEBRPBBFLP-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.69
Rot. Bonds3

About 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene

3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene (PubChem CID 118259244) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Name3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene
PubChem CID118259244
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene
SMILESCOc1ccc(F)c(CC(C)C)c1Cl
InChIInChI=1S/C11H14ClFO/c1-7(2)6-8-9(13)4-5-10(14-3)11(8)12/h4-5,7H,6H2,1-3H3
InChIKeyFNSFUEBRPBBFLP-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.69
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
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
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
2-Chloro-3-methoxybenzonitrile
CID 16218064
(2-Chloro-3-methoxyphenyl)methanol
CID 21580656
1-(Bromomethyl)-2-chloro-3-methoxybenzene
CID 72710396
2-(2-Chloro-3-methoxyphenyl)acetonitrile
CID 84768626

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene?
The IUPAC name of 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene (CID 118259244) is 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene.
What is the SMILES notation for 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene?
The canonical SMILES for 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene is COc1ccc(F)c(CC(C)C)c1Cl.
What is the InChIKey of 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene?
The InChIKey is FNSFUEBRPBBFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-7(2)6-8-9(13)4-5-10(14-3)11(8)12/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene?
3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene has a molecular weight of 216.68 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoro-4-methoxy-2-(2-methylpropyl)benzene is sourced from PubChem (CID 118259244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).