2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol

C19H15BrO2 — CID 141163589

IUPAC2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
SMILESOc1ccccc1C(c1ccc(Br)cc1)c1ccccc1O
InChIInChI=1S/C19H15BrO2/c20-14-11-9-13(10-12-14)19(15-5-1-3-7-17(15)21)16-6-2-4-8-18(16)22/h1-12,19,21-22H
InChIKeyHPKSKWUBOWNVLX-UHFFFAOYSA-N
MW355.23 g/mol
LogP5.04
Rot. Bonds3

About 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol

2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol (PubChem CID 141163589) has the molecular formula C19H15BrO2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
PubChem CID141163589
Molecular FormulaC19H15BrO2
Molecular Weight355.23 g/mol
Exact Mass354.03
IUPAC Name2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
SMILESOc1ccccc1C(c1ccc(Br)cc1)c1ccccc1O
InChIInChI=1S/C19H15BrO2/c20-14-11-9-13(10-12-14)19(15-5-1-3-7-17(15)21)16-6-2-4-8-18(16)22/h1-12,19,21-22H
InChIKeyHPKSKWUBOWNVLX-UHFFFAOYSA-N
XLogP5.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.23
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 23032542
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
2-[(4-bromoanilino)-phenylmethyl]phenol
CID 163183613
2-[(4-bromophenyl)-(1,2,4-triazol-4-ylamino)methyl]phenol
CID 3491293
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
CID 67705842
2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol (CID 141163589) is 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol is Oc1ccccc1C(c1ccc(Br)cc1)c1ccccc1O.
What is the InChIKey of 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol?
The InChIKey is HPKSKWUBOWNVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO2/c20-14-11-9-13(10-12-14)19(15-5-1-3-7-17(15)21)16-6-2-4-8-18(16)22/h1-12,19,21-22H.
What are the key properties of 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol?
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol has a molecular weight of 355.23 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 141163589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).