3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan

C29H28O3 — CID 175814090

IUPAC3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan
SMILESCC(C)c1c(OCc2ccccc2)cc(C=Cc2ccoc2)cc1OCc1ccccc1
InChIInChI=1S/C29H28O3/c1-22(2)29-27(31-20-23-9-5-3-6-10-23)17-26(14-13-25-15-16-30-19-25)18-28(29)32-21-24-11-7-4-8-12-24/h3-19,22H,20-21H2,1-2H3
InChIKeyORVPPFXMPZALPF-UHFFFAOYSA-N
MW424.54 g/mol
LogP7.73
Rot. Bonds9

About 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan

3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan (PubChem CID 175814090) has the molecular formula C29H28O3 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan.

Molecular Properties

Compound Name3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan
PubChem CID175814090
Molecular FormulaC29H28O3
Molecular Weight424.54 g/mol
Exact Mass424.20
IUPAC Name3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan
SMILESCC(C)c1c(OCc2ccccc2)cc(C=Cc2ccoc2)cc1OCc1ccccc1
InChIInChI=1S/C29H28O3/c1-22(2)29-27(31-20-23-9-5-3-6-10-23)17-26(14-13-25-15-16-30-19-25)18-28(29)32-21-24-11-7-4-8-12-24/h3-19,22H,20-21H2,1-2H3
InChIKeyORVPPFXMPZALPF-UHFFFAOYSA-N
XLogP7.73
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine
CID 156774936
5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene
CID 165177480
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
CID 11775336
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
(E)-6-[3,4-bis(phenylmethoxy)phenyl]-3-methylhex-5-ene-2,4-dione
CID 123400181
2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride
CID 141048759
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan?
The IUPAC name of 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan (CID 175814090) is 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan.
What is the SMILES notation for 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan?
The canonical SMILES for 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan is CC(C)c1c(OCc2ccccc2)cc(C=Cc2ccoc2)cc1OCc1ccccc1.
What is the InChIKey of 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan?
The InChIKey is ORVPPFXMPZALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O3/c1-22(2)29-27(31-20-23-9-5-3-6-10-23)17-26(14-13-25-15-16-30-19-25)18-28(29)32-21-24-11-7-4-8-12-24/h3-19,22H,20-21H2,1-2H3.
What are the key properties of 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan?
3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan has a molecular weight of 424.54 g/mol, XLogP of 7.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan is sourced from PubChem (CID 175814090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).