1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone

C24H24O3 — CID 142213591

IUPAC1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCc2ccccc2C)cc(OCc2ccccc2C)c1
InChIInChI=1S/C24H24O3/c1-17-8-4-6-10-20(17)15-26-23-12-22(19(3)25)13-24(14-23)27-16-21-11-7-5-9-18(21)2/h4-14H,15-16H2,1-3H3
InChIKeyHWLUZVQHJBTBRC-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.66
Rot. Bonds7

About 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone

1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 142213591) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
PubChem CID142213591
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCc2ccccc2C)cc(OCc2ccccc2C)c1
InChIInChI=1S/C24H24O3/c1-17-8-4-6-10-20(17)15-26-23-12-22(19(3)25)13-24(14-23)27-16-21-11-7-5-9-18(21)2/h4-14H,15-16H2,1-3H3
InChIKeyHWLUZVQHJBTBRC-UHFFFAOYSA-N
XLogP5.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
acetylene;1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone;N-(2-methylprop-1-enyl)propan-2-imine
CID 142213590
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine
CID 142213579
1-[3-[(4-tert-butyl-2-methylphenyl)methoxy]-5-methoxyphenyl]ethanone
CID 144776955
3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid
CID 66921158
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
prop-2-ynyl 3-[(2-methylphenyl)methoxy]benzoate
CID 91681572
N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 74598649
(E)-4-[2-methyl-4-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 68674216

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone (CID 142213591) is 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone is CC(=O)c1cc(OCc2ccccc2C)cc(OCc2ccccc2C)c1.
What is the InChIKey of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is HWLUZVQHJBTBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-17-8-4-6-10-20(17)15-26-23-12-22(19(3)25)13-24(14-23)27-16-21-11-7-5-9-18(21)2/h4-14H,15-16H2,1-3H3.
What are the key properties of 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone?
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 360.45 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 142213591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).