1-ethoxy-3-fluoro-2,5-dimethylbenzene

C10H13FO — CID 59933400

IUPAC1-ethoxy-3-fluoro-2,5-dimethylbenzene
SMILESCCOc1cc(C)cc(F)c1C
InChIInChI=1S/C10H13FO/c1-4-12-10-6-7(2)5-9(11)8(10)3/h5-6H,4H2,1-3H3
InChIKeyBQKVTUPLSXDYFS-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.84
Rot. Bonds2

About 1-ethoxy-3-fluoro-2,5-dimethylbenzene

1-ethoxy-3-fluoro-2,5-dimethylbenzene (PubChem CID 59933400) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-ethoxy-3-fluoro-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-ethoxy-3-fluoro-2,5-dimethylbenzene
PubChem CID59933400
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-ethoxy-3-fluoro-2,5-dimethylbenzene
SMILESCCOc1cc(C)cc(F)c1C
InChIInChI=1S/C10H13FO/c1-4-12-10-6-7(2)5-9(11)8(10)3/h5-6H,4H2,1-3H3
InChIKeyBQKVTUPLSXDYFS-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005
CID 144806033
CID 144806033
1,3-difluoro-2,5-dimethylbenzene;hexane
CID 144528127
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-fluoro-2,5-dimethylbenzene?
The IUPAC name of 1-ethoxy-3-fluoro-2,5-dimethylbenzene (CID 59933400) is 1-ethoxy-3-fluoro-2,5-dimethylbenzene.
What is the SMILES notation for 1-ethoxy-3-fluoro-2,5-dimethylbenzene?
The canonical SMILES for 1-ethoxy-3-fluoro-2,5-dimethylbenzene is CCOc1cc(C)cc(F)c1C.
What is the InChIKey of 1-ethoxy-3-fluoro-2,5-dimethylbenzene?
The InChIKey is BQKVTUPLSXDYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-4-12-10-6-7(2)5-9(11)8(10)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethoxy-3-fluoro-2,5-dimethylbenzene?
1-ethoxy-3-fluoro-2,5-dimethylbenzene has a molecular weight of 168.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-fluoro-2,5-dimethylbenzene is sourced from PubChem (CID 59933400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).