(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol

C17H18Br2O — CID 107955306

IUPAC(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H18Br2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyKOTSQWVRODTVSP-UHFFFAOYSA-N
MW398.14 g/mol
LogP5.49
Rot. Bonds4

About (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol

(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 107955306) has the molecular formula C17H18Br2O and a molecular weight of 398.14 g/mol. Its IUPAC name is (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
PubChem CID107955306
Molecular FormulaC17H18Br2O
Molecular Weight398.14 g/mol
Exact Mass395.97
IUPAC Name(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H18Br2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyKOTSQWVRODTVSP-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.14
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100850
(2,4-dibromophenyl)-(3,5-dimethylphenyl)methanol
CID 107947280
(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 80537480
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol (CID 107955306) is (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(C(O)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is KOTSQWVRODTVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol?
(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 398.14 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 107955306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).