2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone

C31H30O4 — CID 159551981

IUPAC2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
SMILESCCCc1ccccc1C(=O)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H18O2.C14H12O2/c1-2-8-13-9-6-7-12-15(13)17(19)16(18)14-10-4-3-5-11-14;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3-7,9-12,16,18H,2,8H2,1H3;1-10,13,15H
InChIKeyMFMVZSLRMUVLHE-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.16
Rot. Bonds8

About 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone

2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone (PubChem CID 159551981) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
PubChem CID159551981
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone
SMILESCCCc1ccccc1C(=O)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H18O2.C14H12O2/c1-2-8-13-9-6-7-12-15(13)17(19)16(18)14-10-4-3-5-11-14;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3-7,9-12,16,18H,2,8H2,1H3;1-10,13,15H
InChIKeyMFMVZSLRMUVLHE-UHFFFAOYSA-N
XLogP6.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-(2-phenacylphenyl)-2-phenylethanone
CID 69188181
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]acetic acid
CID 69479306
2-hydroxy-1,2-diphenylethanone
CID 159399559
2-hexylbenzenethiol;2-hydroxy-1,2-diphenylethanone
CID 70611989
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
2-hydroxy-1,2-diphenylethanone;nonan-5-one
CID 69310835
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane
CID 19070360
ethoxymethanol;2-hydroxy-1,2-diphenylethanone
CID 69429454
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone?
The IUPAC name of 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone (CID 159551981) is 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone?
The canonical SMILES for 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone is CCCc1ccccc1C(=O)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone?
The InChIKey is MFMVZSLRMUVLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.C14H12O2/c1-2-8-13-9-6-7-12-15(13)17(19)16(18)14-10-4-3-5-11-14;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3-7,9-12,16,18H,2,8H2,1H3;1-10,13,15H.
What are the key properties of 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone?
2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone has a molecular weight of 466.58 g/mol, XLogP of 6.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-diphenylethanone;2-hydroxy-2-phenyl-1-(2-propylphenyl)ethanone is sourced from PubChem (CID 159551981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).