1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone

C21H18O3 — CID 23004910

IUPAC1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)ccc1O
InChIInChI=1S/C21H18O3/c1-15(22)20-13-18(10-11-21(20)23)17-8-5-9-19(12-17)24-14-16-6-3-2-4-7-16/h2-13,23H,14H2,1H3
InChIKeyJLHTUYUICOWHPK-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.84
Rot. Bonds5

About 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone

1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone (PubChem CID 23004910) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
PubChem CID23004910
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)ccc1O
InChIInChI=1S/C21H18O3/c1-15(22)20-13-18(10-11-21(20)23)17-8-5-9-19(12-17)24-14-16-6-3-2-4-7-16/h2-13,23H,14H2,1H3
InChIKeyJLHTUYUICOWHPK-UHFFFAOYSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
1-[4-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647114
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
CID 10449655
2-phenyl-5-phenylmethoxyphenol
CID 123808909
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 171390969

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone (CID 23004910) is 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone is CC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone?
The InChIKey is JLHTUYUICOWHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-15(22)20-13-18(10-11-21(20)23)17-8-5-9-19(12-17)24-14-16-6-3-2-4-7-16/h2-13,23H,14H2,1H3.
What are the key properties of 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone?
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone has a molecular weight of 318.37 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 23004910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).