4-(4-fluorophenyl)-2-methoxy-1-methylbenzene

C14H13FO — CID 46313029

IUPAC4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
SMILESCOc1cc(-c2ccc(F)cc2)ccc1C
InChIInChI=1S/C14H13FO/c1-10-3-4-12(9-14(10)16-2)11-5-7-13(15)8-6-11/h3-9H,1-2H3
InChIKeyIZACLDHWAUDRIC-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.81
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene

4-(4-fluorophenyl)-2-methoxy-1-methylbenzene (PubChem CID 46313029) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
PubChem CID46313029
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
SMILESCOc1cc(-c2ccc(F)cc2)ccc1C
InChIInChI=1S/C14H13FO/c1-10-3-4-12(9-14(10)16-2)11-5-7-13(15)8-6-11/h3-9H,1-2H3
InChIKeyIZACLDHWAUDRIC-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

5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 23597813
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
CID 119003875
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene?
The IUPAC name of 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene (CID 46313029) is 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene?
The canonical SMILES for 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene is COc1cc(-c2ccc(F)cc2)ccc1C.
What is the InChIKey of 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene?
The InChIKey is IZACLDHWAUDRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-10-3-4-12(9-14(10)16-2)11-5-7-13(15)8-6-11/h3-9H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene?
4-(4-fluorophenyl)-2-methoxy-1-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 4-(4-fluorophenyl)-2-methoxy-1-methylbenzene is sourced from PubChem (CID 46313029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).