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

C33H34O3 — CID 153325745

IUPACbis[2-[phenyl(propoxy)methyl]phenyl]methanone
SMILESCCCOC(c1ccccc1)c1ccccc1C(=O)c1ccccc1C(OCCC)c1ccccc1
InChIInChI=1S/C33H34O3/c1-3-23-35-32(25-15-7-5-8-16-25)29-21-13-11-19-27(29)31(34)28-20-12-14-22-30(28)33(36-24-4-2)26-17-9-6-10-18-26/h5-22,32-33H,3-4,23-24H2,1-2H3
InChIKeyMMXIBWDDDSTYLU-UHFFFAOYSA-N
MW478.63 g/mol
LogP7.95
Rot. Bonds12

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

bis[2-[phenyl(propoxy)methyl]phenyl]methanone (PubChem CID 153325745) has the molecular formula C33H34O3 and a molecular weight of 478.63 g/mol. Its IUPAC name is bis[2-[phenyl(propoxy)methyl]phenyl]methanone.

Molecular Properties

Compound Namebis[2-[phenyl(propoxy)methyl]phenyl]methanone
PubChem CID153325745
Molecular FormulaC33H34O3
Molecular Weight478.63 g/mol
Exact Mass478.25
IUPAC Namebis[2-[phenyl(propoxy)methyl]phenyl]methanone
SMILESCCCOC(c1ccccc1)c1ccccc1C(=O)c1ccccc1C(OCCC)c1ccccc1
InChIInChI=1S/C33H34O3/c1-3-23-35-32(25-15-7-5-8-16-25)29-21-13-11-19-27(29)31(34)28-20-12-14-22-30(28)33(36-24-4-2)26-17-9-6-10-18-26/h5-22,32-33H,3-4,23-24H2,1-2H3
InChIKeyMMXIBWDDDSTYLU-UHFFFAOYSA-N
XLogP7.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-[ethoxy(phenyl)methyl]phenyl]methanone
CID 153325747
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
2-(1-phenylbutyl)benzoic acid
CID 118163861
2-(1-phenylbutyl)benzenecarboperoxoic acid
CID 175075603
2-phenyl-2-propoxyacetohydrazide
CID 63569629
propyl (2R)-2-phenylpropanoate
CID 14926551
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
benzyl 2-phenyl-2-propoxyacetate
CID 57015298
(1-phenyl-1-propoxypropan-2-yl) propanoate
CID 155148718
6-phenyl-4-propoxyheptan-3-one
CID 83226446
2-benzhydryloxyethyl(trimethyl)azanium
CID 26536

Frequently Asked Questions

What is the IUPAC name of bis[2-[phenyl(propoxy)methyl]phenyl]methanone?
The IUPAC name of bis[2-[phenyl(propoxy)methyl]phenyl]methanone (CID 153325745) is bis[2-[phenyl(propoxy)methyl]phenyl]methanone.
What is the SMILES notation for bis[2-[phenyl(propoxy)methyl]phenyl]methanone?
The canonical SMILES for bis[2-[phenyl(propoxy)methyl]phenyl]methanone is CCCOC(c1ccccc1)c1ccccc1C(=O)c1ccccc1C(OCCC)c1ccccc1.
What is the InChIKey of bis[2-[phenyl(propoxy)methyl]phenyl]methanone?
The InChIKey is MMXIBWDDDSTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O3/c1-3-23-35-32(25-15-7-5-8-16-25)29-21-13-11-19-27(29)31(34)28-20-12-14-22-30(28)33(36-24-4-2)26-17-9-6-10-18-26/h5-22,32-33H,3-4,23-24H2,1-2H3.
What are the key properties of bis[2-[phenyl(propoxy)methyl]phenyl]methanone?
bis[2-[phenyl(propoxy)methyl]phenyl]methanone has a molecular weight of 478.63 g/mol, XLogP of 7.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[phenyl(propoxy)methyl]phenyl]methanone is sourced from PubChem (CID 153325745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).