2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene

C14H13FO — CID 155698567

IUPAC2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
SMILESCOc1ccccc1-c1ccc(C)cc1F
InChIInChI=1S/C14H13FO/c1-10-7-8-11(13(15)9-10)12-5-3-4-6-14(12)16-2/h3-9H,1-2H3
InChIKeyLBCBCGLFVCAOPD-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.81
Rot. Bonds2

About 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene

2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene (PubChem CID 155698567) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
PubChem CID155698567
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
SMILESCOc1ccccc1-c1ccc(C)cc1F
InChIInChI=1S/C14H13FO/c1-10-7-8-11(13(15)9-10)12-5-3-4-6-14(12)16-2/h3-9H,1-2H3
InChIKeyLBCBCGLFVCAOPD-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
methyl 2-(2-methoxyphenyl)-5-methylbenzoate
CID 11844440
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
CID 119008947
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene?
The IUPAC name of 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene (CID 155698567) is 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene is COc1ccccc1-c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene?
The InChIKey is LBCBCGLFVCAOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-10-7-8-11(13(15)9-10)12-5-3-4-6-14(12)16-2/h3-9H,1-2H3.
What are the key properties of 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene?
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene has a molecular weight of 216.25 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene is sourced from PubChem (CID 155698567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).