(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol

C14H11BrF2O — CID 107983315

IUPAC(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
SMILESCc1cccc(C(O)c2cc(F)ccc2F)c1Br
InChIInChI=1S/C14H11BrF2O/c1-8-3-2-4-10(13(8)15)14(18)11-7-9(16)5-6-12(11)17/h2-7,14,18H,1H3
InChIKeyVAQPVLNVOLSNCP-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.12
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol

(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol (PubChem CID 107983315) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
PubChem CID107983315
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
SMILESCc1cccc(C(O)c2cc(F)ccc2F)c1Br
InChIInChI=1S/C14H11BrF2O/c1-8-3-2-4-10(13(8)15)14(18)11-7-9(16)5-6-12(11)17/h2-7,14,18H,1H3
InChIKeyVAQPVLNVOLSNCP-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 107981875
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(2-bromophenyl)-(2,5-difluorophenyl)methanol
CID 61101637
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol (CID 107983315) is (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol is Cc1cccc(C(O)c2cc(F)ccc2F)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol?
The InChIKey is VAQPVLNVOLSNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-8-3-2-4-10(13(8)15)14(18)11-7-9(16)5-6-12(11)17/h2-7,14,18H,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol?
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol has a molecular weight of 313.14 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol is sourced from PubChem (CID 107983315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).