1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone

C21H18O3 — CID 10781818

IUPAC1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(OC(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H18O3/c1-15(22)18-12-13-20(19(23)14-18)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21,23H,1H3
InChIKeyXJDBPIFBDWFNQI-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.76
Rot. Bonds5

About 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone

1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone (PubChem CID 10781818) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone
PubChem CID10781818
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(OC(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H18O3/c1-15(22)18-12-13-20(19(23)14-18)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21,23H,1H3
InChIKeyXJDBPIFBDWFNQI-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
CID 43822990
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 46630509
1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
CID 10850109
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
3-hydroxy-4-methoxybenzoic acid
CID 12575
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
CID 22025249
CID 22025249
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone (CID 10781818) is 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone is CC(=O)c1ccc(OC(c2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone?
The InChIKey is XJDBPIFBDWFNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-15(22)18-12-13-20(19(23)14-18)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21,23H,1H3.
What are the key properties of 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone?
1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone has a molecular weight of 318.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydryloxy-3-hydroxyphenyl)ethanone is sourced from PubChem (CID 10781818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).