5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene

C14H10BrClF2O — CID 59235389

IUPAC5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Cc2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C14H10BrClF2O/c1-19-14-12(17)5-8(6-13(14)18)4-9-7-10(15)2-3-11(9)16/h2-3,5-7H,4H2,1H3
InChIKeySJLKKLLFHDUQOI-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.98
Rot. Bonds3

About 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene

5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene (PubChem CID 59235389) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene.

Molecular Properties

Compound Name5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene
PubChem CID59235389
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Cc2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C14H10BrClF2O/c1-19-14-12(17)5-8(6-13(14)18)4-9-7-10(15)2-3-11(9)16/h2-3,5-7H,4H2,1H3
InChIKeySJLKKLLFHDUQOI-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
(2R,3R,4S,5S,6R)-2-[4-chloro-3-[(3,5-difluoro-4-methoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 86637430
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
1-(4-bromo-2-fluorophenyl)-3-chloro-2-methoxybenzene
CID 165375385
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
3-[(5-bromo-2-methoxyphenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 103289758
4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene
CID 123676769
2-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]ethanol
CID 59557784
3-[4-[(5-bromo-2-chlorophenyl)methyl]phenyl]propan-1-ol
CID 59557756
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
CID 66875668

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene?
The IUPAC name of 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene (CID 59235389) is 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene.
What is the SMILES notation for 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene?
The canonical SMILES for 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene is COc1c(F)cc(Cc2cc(Br)ccc2Cl)cc1F.
What is the InChIKey of 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene?
The InChIKey is SJLKKLLFHDUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c1-19-14-12(17)5-8(6-13(14)18)4-9-7-10(15)2-3-11(9)16/h2-3,5-7H,4H2,1H3.
What are the key properties of 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene?
5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene has a molecular weight of 347.59 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-chlorophenyl)methyl]-1,3-difluoro-2-methoxybenzene is sourced from PubChem (CID 59235389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).