1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene

C16H20ClFO — CID 177181155

IUPAC1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene
SMILESCC.COc1ccc(C)cc1.Fc1ccccc1Cl
InChIInChI=1S/C8H10O.C6H4ClF.C2H6/c1-7-3-5-8(9-2)6-4-7;7-5-3-1-2-4-6(5)8;1-2/h3-6H,1-2H3;1-4H;1-2H3
InChIKeyFMTGPDDKIIINSX-UHFFFAOYSA-N
MW282.79 g/mol
LogP5.51
Rot. Bonds1

About 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene

1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene (PubChem CID 177181155) has the molecular formula C16H20ClFO and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene
PubChem CID177181155
Molecular FormulaC16H20ClFO
Molecular Weight282.79 g/mol
Exact Mass282.12
IUPAC Name1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene
SMILESCC.COc1ccc(C)cc1.Fc1ccccc1Cl
InChIInChI=1S/C8H10O.C6H4ClF.C2H6/c1-7-3-5-8(9-2)6-4-7;7-5-3-1-2-4-6(5)8;1-2/h3-6H,1-2H3;1-4H;1-2H3
InChIKeyFMTGPDDKIIINSX-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.79
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
ethane;1-fluoro-4-methoxybenzene;1-fluoro-2-methylbenzene
CID 156880455
anisole;1,2-difluorobenzene
CID 158594805
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
anisole;ethane;methoxymethane;toluene
CID 91157363
anisole;ethane;methane;toluene
CID 162203446
1-methoxy-4-methylbenzene;phenol
CID 167630836
1-methoxy-4-methylbenzene;propane
CID 142064987

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene?
The IUPAC name of 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene (CID 177181155) is 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene?
The canonical SMILES for 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene is CC.COc1ccc(C)cc1.Fc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene?
The InChIKey is FMTGPDDKIIINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H4ClF.C2H6/c1-7-3-5-8(9-2)6-4-7;7-5-3-1-2-4-6(5)8;1-2/h3-6H,1-2H3;1-4H;1-2H3.
What are the key properties of 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene?
1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene has a molecular weight of 282.79 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluorobenzene;ethane;1-methoxy-4-methylbenzene is sourced from PubChem (CID 177181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).