(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol

C14H10Br2F2O — CID 81473865

IUPAC(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(F)c2F)cc1Br
InChIInChI=1S/C14H10Br2F2O/c1-7-5-11(16)9(6-10(7)15)14(19)8-3-2-4-12(17)13(8)18/h2-6,14,19H,1H3
InChIKeyUYQCSCWZTCLCIV-UHFFFAOYSA-N
MW392.04 g/mol
LogP4.88
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol

(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol (PubChem CID 81473865) has the molecular formula C14H10Br2F2O and a molecular weight of 392.04 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
PubChem CID81473865
Molecular FormulaC14H10Br2F2O
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(F)c2F)cc1Br
InChIInChI=1S/C14H10Br2F2O/c1-7-5-11(16)9(6-10(7)15)14(19)8-3-2-4-12(17)13(8)18/h2-6,14,19H,1H3
InChIKeyUYQCSCWZTCLCIV-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 81473551
(2,3-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63894755
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(2-bromo-3,4-difluorophenyl)-(2,3-difluorophenyl)methanol
CID 107538306
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol (CID 81473865) is (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol is Cc1cc(Br)c(C(O)c2cccc(F)c2F)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol?
The InChIKey is UYQCSCWZTCLCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2O/c1-7-5-11(16)9(6-10(7)15)14(19)8-3-2-4-12(17)13(8)18/h2-6,14,19H,1H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol?
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol has a molecular weight of 392.04 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol is sourced from PubChem (CID 81473865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).