[2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol

C16H15BrF2O — CID 139592636

IUPAC[2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol
SMILESCc1cc(CO)c(C(F)(F)c2cccc(Br)c2)cc1C
InChIInChI=1S/C16H15BrF2O/c1-10-6-12(9-20)15(7-11(10)2)16(18,19)13-4-3-5-14(17)8-13/h3-8,20H,9H2,1-2H3
InChIKeyZHKACYGWEFOKMW-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.70
Rot. Bonds3

About [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol

[2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol (PubChem CID 139592636) has the molecular formula C16H15BrF2O and a molecular weight of 341.20 g/mol. Its IUPAC name is [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol
PubChem CID139592636
Molecular FormulaC16H15BrF2O
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name[2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol
SMILESCc1cc(CO)c(C(F)(F)c2cccc(Br)c2)cc1C
InChIInChI=1S/C16H15BrF2O/c1-10-6-12(9-20)15(7-11(10)2)16(18,19)13-4-3-5-14(17)8-13/h3-8,20H,9H2,1-2H3
InChIKeyZHKACYGWEFOKMW-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-Bromonaphthalen-2-yl)methanol
CID 264948
(8-Bromonaphthalen-1-yl)methanol
CID 2780087
[4-Tert-butyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 57400887
[2-Bromo-4-(trifluoromethyl)phenyl]methanol
CID 2779289
(3-Bromo-2,5-dimethylphenyl)methanol
CID 10656303
7-Bromo-2-naphthalenemethanol
CID 22240133
[3-Bromo-5-(trifluoromethyl)phenyl]methanol
CID 29919767
(4-Bromonaphthalen-2-yl)methanol
CID 59869315
(2-Bromo-6-(trifluoromethyl)phenyl)methanol
CID 68281421
[4-Bromo-2-(trifluoromethyl)phenyl]methanol
CID 74892768
1-(4-Bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-ol
CID 86767394
5-Bromo-2-(trifluoromethyl)benzyl alcohol
CID 99769938

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol?
The IUPAC name of [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol (CID 139592636) is [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol.
What is the SMILES notation for [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol?
The canonical SMILES for [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol is Cc1cc(CO)c(C(F)(F)c2cccc(Br)c2)cc1C.
What is the InChIKey of [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol?
The InChIKey is ZHKACYGWEFOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O/c1-10-6-12(9-20)15(7-11(10)2)16(18,19)13-4-3-5-14(17)8-13/h3-8,20H,9H2,1-2H3.
What are the key properties of [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol?
[2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol has a molecular weight of 341.20 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)-difluoromethyl]-4,5-dimethylphenyl]methanol is sourced from PubChem (CID 139592636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).