2,3-diethoxyphenol;diphenylmethanone

C23H24O4 — CID 159024064

IUPAC2,3-diethoxyphenol;diphenylmethanone
SMILESCCOc1cccc(O)c1OCC.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C10H14O3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-12-9-7-5-6-8(11)10(9)13-4-2/h1-10H;5-7,11H,3-4H2,1-2H3
InChIKeyJUBMOCYQIVKUNO-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.11
Rot. Bonds6

About 2,3-diethoxyphenol;diphenylmethanone

2,3-diethoxyphenol;diphenylmethanone (PubChem CID 159024064) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2,3-diethoxyphenol;diphenylmethanone.

Molecular Properties

Compound Name2,3-diethoxyphenol;diphenylmethanone
PubChem CID159024064
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name2,3-diethoxyphenol;diphenylmethanone
SMILESCCOc1cccc(O)c1OCC.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C10H14O3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-12-9-7-5-6-8(11)10(9)13-4-2/h1-10H;5-7,11H,3-4H2,1-2H3
InChIKeyJUBMOCYQIVKUNO-UHFFFAOYSA-N
XLogP5.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-propoxyphenol
CID 174814735
(2,3-diethoxyphenyl) acetate
CID 19833387
[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone
CID 139913543
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
[2-ethoxy-3-(ethylamino)phenyl]-phenylmethanone
CID 67045669
(4-benzoylphenyl) 2-ethoxybenzoate
CID 1234623
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid
CID 83950039
1-phenyl-3-(2,3,4-triethoxyphenyl)prop-2-en-1-one
CID 70287765
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
CID 43162233

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxyphenol;diphenylmethanone?
The IUPAC name of 2,3-diethoxyphenol;diphenylmethanone (CID 159024064) is 2,3-diethoxyphenol;diphenylmethanone.
What is the SMILES notation for 2,3-diethoxyphenol;diphenylmethanone?
The canonical SMILES for 2,3-diethoxyphenol;diphenylmethanone is CCOc1cccc(O)c1OCC.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-diethoxyphenol;diphenylmethanone?
The InChIKey is JUBMOCYQIVKUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C10H14O3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-12-9-7-5-6-8(11)10(9)13-4-2/h1-10H;5-7,11H,3-4H2,1-2H3.
What are the key properties of 2,3-diethoxyphenol;diphenylmethanone?
2,3-diethoxyphenol;diphenylmethanone has a molecular weight of 364.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxyphenol;diphenylmethanone is sourced from PubChem (CID 159024064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).