1-fluoro-2-[(4-methoxyphenyl)methyl]benzene

C14H13FO — CID 57312860

IUPAC1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C14H13FO/c1-16-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3
InChIKeyNACBXMPIOUIZGB-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.43
Rot. Bonds3

About 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene

1-fluoro-2-[(4-methoxyphenyl)methyl]benzene (PubChem CID 57312860) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
PubChem CID57312860
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C14H13FO/c1-16-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3
InChIKeyNACBXMPIOUIZGB-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
[2-[(4-methoxyphenyl)methyl]phenyl]methylhydrazine;hydrochloride
CID 69400948
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
1-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111181261
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene
CID 69239963
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene (CID 57312860) is 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene is COc1ccc(Cc2ccccc2F)cc1.
What is the InChIKey of 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene?
The InChIKey is NACBXMPIOUIZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-16-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3.
What are the key properties of 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene?
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene has a molecular weight of 216.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 57312860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).