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

C14H11BrF2O — CID 81476067

IUPAC(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
SMILESCc1ccc(C(O)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C14H11BrF2O/c1-8-2-3-9(6-12(8)15)14(18)11-5-4-10(16)7-13(11)17/h2-7,14,18H,1H3
InChIKeyZWOMTGHJQZNDHY-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.12
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol

(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol (PubChem CID 81476067) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
PubChem CID81476067
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
SMILESCc1ccc(C(O)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C14H11BrF2O/c1-8-2-3-9(6-12(8)15)14(18)11-5-4-10(16)7-13(11)17/h2-7,14,18H,1H3
InChIKeyZWOMTGHJQZNDHY-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

(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(2,4-difluorophenyl)-(5-methylfuran-3-yl)methanol
CID 114822277
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(2,4-difluorophenyl)-naphthalen-2-ylmethanol
CID 61087912
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol (CID 81476067) is (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol is Cc1ccc(C(O)c2ccc(F)cc2F)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol?
The InChIKey is ZWOMTGHJQZNDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-8-2-3-9(6-12(8)15)14(18)11-5-4-10(16)7-13(11)17/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol?
(3-bromo-4-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 (3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 81476067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).