(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol

C18H21BrO2 — CID 115369706

IUPAC(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCOc1cc(Br)ccc1C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H21BrO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-9-8-15(19)11-17(16)21-3/h4-9,11-12,18,20H,10H2,1-3H3
InChIKeyDBGZBYYNILUDKD-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.74
Rot. Bonds5

About (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol

(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 115369706) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
PubChem CID115369706
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCOc1cc(Br)ccc1C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H21BrO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-9-8-15(19)11-17(16)21-3/h4-9,11-12,18,20H,10H2,1-3H3
InChIKeyDBGZBYYNILUDKD-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 107955306
(4-bromo-2-methoxyphenyl)-(4-butan-2-ylphenyl)methanol
CID 115369721
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 115370103
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(4-bromo-2-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807569
(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 115824010
(2-methoxy-4-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 106790968

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol (CID 115369706) is (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol is COc1cc(Br)ccc1C(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is DBGZBYYNILUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-9-8-15(19)11-17(16)21-3/h4-9,11-12,18,20H,10H2,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol?
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 349.27 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 115369706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).