bis[2-[ethoxy(phenyl)methyl]phenyl]methanone

C31H30O3 — CID 153325747

IUPACbis[2-[ethoxy(phenyl)methyl]phenyl]methanone
SMILESCCOC(c1ccccc1)c1ccccc1C(=O)c1ccccc1C(OCC)c1ccccc1
InChIInChI=1S/C31H30O3/c1-3-33-30(23-15-7-5-8-16-23)27-21-13-11-19-25(27)29(32)26-20-12-14-22-28(26)31(34-4-2)24-17-9-6-10-18-24/h5-22,30-31H,3-4H2,1-2H3
InChIKeyDPWIHEOLGXKSDN-UHFFFAOYSA-N
MW450.58 g/mol
LogP7.17
Rot. Bonds10

About bis[2-[ethoxy(phenyl)methyl]phenyl]methanone

bis[2-[ethoxy(phenyl)methyl]phenyl]methanone (PubChem CID 153325747) has the molecular formula C31H30O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is bis[2-[ethoxy(phenyl)methyl]phenyl]methanone.

Molecular Properties

Compound Namebis[2-[ethoxy(phenyl)methyl]phenyl]methanone
PubChem CID153325747
Molecular FormulaC31H30O3
Molecular Weight450.58 g/mol
Exact Mass450.22
IUPAC Namebis[2-[ethoxy(phenyl)methyl]phenyl]methanone
SMILESCCOC(c1ccccc1)c1ccccc1C(=O)c1ccccc1C(OCC)c1ccccc1
InChIInChI=1S/C31H30O3/c1-3-33-30(23-15-7-5-8-16-23)27-21-13-11-19-25(27)29(32)26-20-12-14-22-28(26)31(34-4-2)24-17-9-6-10-18-24/h5-22,30-31H,3-4H2,1-2H3
InChIKeyDPWIHEOLGXKSDN-UHFFFAOYSA-N
XLogP7.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-[phenyl(propoxy)methyl]phenyl]methanone
CID 153325745
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
1-[ethoxy(phenyl)methyl]-2-methylsulfanylbenzene
CID 118669387
[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone
CID 164915429
CID 56851104
CID 56851104
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
2-[ethoxy(phenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 116775115
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
CID 141031593
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
CID 56851103
CID 56851103
2-(1-phenylbutyl)benzenecarboperoxoic acid
CID 175075603
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123

Frequently Asked Questions

What is the IUPAC name of bis[2-[ethoxy(phenyl)methyl]phenyl]methanone?
The IUPAC name of bis[2-[ethoxy(phenyl)methyl]phenyl]methanone (CID 153325747) is bis[2-[ethoxy(phenyl)methyl]phenyl]methanone.
What is the SMILES notation for bis[2-[ethoxy(phenyl)methyl]phenyl]methanone?
The canonical SMILES for bis[2-[ethoxy(phenyl)methyl]phenyl]methanone is CCOC(c1ccccc1)c1ccccc1C(=O)c1ccccc1C(OCC)c1ccccc1.
What is the InChIKey of bis[2-[ethoxy(phenyl)methyl]phenyl]methanone?
The InChIKey is DPWIHEOLGXKSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O3/c1-3-33-30(23-15-7-5-8-16-23)27-21-13-11-19-25(27)29(32)26-20-12-14-22-28(26)31(34-4-2)24-17-9-6-10-18-24/h5-22,30-31H,3-4H2,1-2H3.
What are the key properties of bis[2-[ethoxy(phenyl)methyl]phenyl]methanone?
bis[2-[ethoxy(phenyl)methyl]phenyl]methanone has a molecular weight of 450.58 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[ethoxy(phenyl)methyl]phenyl]methanone is sourced from PubChem (CID 153325747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).