1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene

C19H14ClFO — CID 135073737

IUPAC1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene
SMILESFc1ccc(OCc2ccccc2Cl)c(-c2ccccc2)c1
InChIInChI=1S/C19H14ClFO/c20-18-9-5-4-8-15(18)13-22-19-11-10-16(21)12-17(19)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyWYFRMQHBOLHUJK-UHFFFAOYSA-N
MW312.77 g/mol
LogP5.73
Rot. Bonds4

About 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene

1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene (PubChem CID 135073737) has the molecular formula C19H14ClFO and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene
PubChem CID135073737
Molecular FormulaC19H14ClFO
Molecular Weight312.77 g/mol
Exact Mass312.07
IUPAC Name1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene
SMILESFc1ccc(OCc2ccccc2Cl)c(-c2ccccc2)c1
InChIInChI=1S/C19H14ClFO/c20-18-9-5-4-8-15(18)13-22-19-11-10-16(21)12-17(19)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyWYFRMQHBOLHUJK-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.77
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Biphenylyl phenyl ether
CID 81220
Benzene, 1-chloro-4-(phenylmethoxy)-
CID 139062
1-(Benzyloxy)-2-(2-phenylethyl)benzene
CID 11973811
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067155
1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene
CID 25207582
4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile
CID 2736552
3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268104
(3Z)-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268973
3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272387
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272388
3-[(E)-2-(4-chlorophenyl)vinyl]-2H-chromene
CID 52941811
6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene
CID 52942006

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene (CID 135073737) is 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene is Fc1ccc(OCc2ccccc2Cl)c(-c2ccccc2)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene?
The InChIKey is WYFRMQHBOLHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO/c20-18-9-5-4-8-15(18)13-22-19-11-10-16(21)12-17(19)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene?
1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene has a molecular weight of 312.77 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-4-fluoro-2-phenylbenzene is sourced from PubChem (CID 135073737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).