1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene

C19H13BrF2O — CID 54164319

IUPAC1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
SMILESFc1c(OCc2ccccc2)ccc(-c2ccc(Br)cc2)c1F
InChIInChI=1S/C19H13BrF2O/c20-15-8-6-14(7-9-15)16-10-11-17(19(22)18(16)21)23-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyOQPATMVUEABEDK-UHFFFAOYSA-N
MW375.21 g/mol
LogP5.97
Rot. Bonds4

About 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene

1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene (PubChem CID 54164319) has the molecular formula C19H13BrF2O and a molecular weight of 375.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
PubChem CID54164319
Molecular FormulaC19H13BrF2O
Molecular Weight375.21 g/mol
Exact Mass374.01
IUPAC Name1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
SMILESFc1c(OCc2ccccc2)ccc(-c2ccc(Br)cc2)c1F
InChIInChI=1S/C19H13BrF2O/c20-15-8-6-14(7-9-15)16-10-11-17(19(22)18(16)21)23-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyOQPATMVUEABEDK-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.21
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
4-bromo-2-(4-methylsulfonylphenyl)-1-phenylmethoxybenzene
CID 170459918
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene?
The IUPAC name of 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene (CID 54164319) is 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene?
The canonical SMILES for 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene is Fc1c(OCc2ccccc2)ccc(-c2ccc(Br)cc2)c1F.
What is the InChIKey of 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene?
The InChIKey is OQPATMVUEABEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF2O/c20-15-8-6-14(7-9-15)16-10-11-17(19(22)18(16)21)23-12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene?
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene has a molecular weight of 375.21 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene is sourced from PubChem (CID 54164319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).