2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol

C20H17BrO2 — CID 20749744

IUPAC2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol
SMILESCc1cc(Br)c(OCc2ccccc2)c(-c2ccccc2O)c1
InChIInChI=1S/C20H17BrO2/c1-14-11-17(16-9-5-6-10-19(16)22)20(18(21)12-14)23-13-15-7-3-2-4-8-15/h2-12,22H,13H2,1H3
InChIKeyAPJCTCFVLNQTHJ-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.71
Rot. Bonds4

About 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol

2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol (PubChem CID 20749744) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol.

Molecular Properties

Compound Name2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol
PubChem CID20749744
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol
SMILESCc1cc(Br)c(OCc2ccccc2)c(-c2ccccc2O)c1
InChIInChI=1S/C20H17BrO2/c1-14-11-17(16-9-5-6-10-19(16)22)20(18(21)12-14)23-13-15-7-3-2-4-8-15/h2-12,22H,13H2,1H3
InChIKeyAPJCTCFVLNQTHJ-UHFFFAOYSA-N
XLogP5.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(2-hydroxyphenyl)-4-methylphenol;phenylmethoxymethylbenzene
CID 22508442
1-bromo-3-(3,5-ditert-butylphenyl)-5-methyl-2-phenylmethoxybenzene
CID 20749767
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
2-phenylmethoxybenzene-1,3-diol
CID 15652625
1,3-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
(1R,3R,4S)-7-bromo-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromene-4,5-diol
CID 11303500
2-bromo-6-phenylmethoxyphenol
CID 67346586
1-(5-bromo-3-fluoro-2-methyl-6-phenylmethoxyphenyl)ethanone
CID 91197149
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol?
The IUPAC name of 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol (CID 20749744) is 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol.
What is the SMILES notation for 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol?
The canonical SMILES for 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol is Cc1cc(Br)c(OCc2ccccc2)c(-c2ccccc2O)c1.
What is the InChIKey of 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol?
The InChIKey is APJCTCFVLNQTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c1-14-11-17(16-9-5-6-10-19(16)22)20(18(21)12-14)23-13-15-7-3-2-4-8-15/h2-12,22H,13H2,1H3.
What are the key properties of 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol?
2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol has a molecular weight of 369.26 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methyl-2-phenylmethoxyphenyl)phenol is sourced from PubChem (CID 20749744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).