2-[3-(4-bromophenyl)-2-methylphenyl]phenol

C19H15BrO — CID 145025049

IUPAC2-[3-(4-bromophenyl)-2-methylphenyl]phenol
SMILESCc1c(-c2ccc(Br)cc2)cccc1-c1ccccc1O
InChIInChI=1S/C19H15BrO/c1-13-16(14-9-11-15(20)12-10-14)6-4-7-17(13)18-5-2-3-8-19(18)21/h2-12,21H,1H3
InChIKeyASRQRMSNJZEYKU-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.80
Rot. Bonds2

About 2-[3-(4-bromophenyl)-2-methylphenyl]phenol

2-[3-(4-bromophenyl)-2-methylphenyl]phenol (PubChem CID 145025049) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2-methylphenyl]phenol.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-2-methylphenyl]phenol
PubChem CID145025049
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name2-[3-(4-bromophenyl)-2-methylphenyl]phenol
SMILESCc1c(-c2ccc(Br)cc2)cccc1-c1ccccc1O
InChIInChI=1S/C19H15BrO/c1-13-16(14-9-11-15(20)12-10-14)6-4-7-17(13)18-5-2-3-8-19(18)21/h2-12,21H,1H3
InChIKeyASRQRMSNJZEYKU-UHFFFAOYSA-N
XLogP5.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methyl-3-(3-methylphenyl)phenyl]phenol
CID 121342890
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972
2-(4-bromophenyl)-4-methylphenol
CID 15169349
1-[3-(4-bromophenyl)sulfonyl-2-methylphenyl]-2-methyl-3-phenylbenzene
CID 174288890
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
1-(4-bromophenyl)-2,3,4-trimethylbenzene
CID 174839809
3-(3-bromo-2-methylphenyl)-2-methylphenol
CID 167107181
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2-methylphenyl]phenol?
The IUPAC name of 2-[3-(4-bromophenyl)-2-methylphenyl]phenol (CID 145025049) is 2-[3-(4-bromophenyl)-2-methylphenyl]phenol.
What is the SMILES notation for 2-[3-(4-bromophenyl)-2-methylphenyl]phenol?
The canonical SMILES for 2-[3-(4-bromophenyl)-2-methylphenyl]phenol is Cc1c(-c2ccc(Br)cc2)cccc1-c1ccccc1O.
What is the InChIKey of 2-[3-(4-bromophenyl)-2-methylphenyl]phenol?
The InChIKey is ASRQRMSNJZEYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c1-13-16(14-9-11-15(20)12-10-14)6-4-7-17(13)18-5-2-3-8-19(18)21/h2-12,21H,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-2-methylphenyl]phenol?
2-[3-(4-bromophenyl)-2-methylphenyl]phenol has a molecular weight of 339.23 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-2-methylphenyl]phenol is sourced from PubChem (CID 145025049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).