(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol

C14H11BrF2O — CID 61087729

IUPAC(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
SMILESCc1cc(Br)ccc1C(O)c1ccc(F)cc1F
InChIInChI=1S/C14H11BrF2O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7,14,18H,1H3
InChIKeyXGJBTDCOQNFERU-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.12
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol

(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol (PubChem CID 61087729) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
PubChem CID61087729
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
SMILESCc1cc(Br)ccc1C(O)c1ccc(F)cc1F
InChIInChI=1S/C14H11BrF2O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7,14,18H,1H3
InChIKeyXGJBTDCOQNFERU-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

(4-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894705
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
(4-bromo-2,6-difluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794091
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol
CID 107538529
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol (CID 61087729) is (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol is Cc1cc(Br)ccc1C(O)c1ccc(F)cc1F.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol?
The InChIKey is XGJBTDCOQNFERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol?
(4-bromo-2-methylphenyl)-(2,4-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 (4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 61087729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).