2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene

C25H26O2 — CID 11121904

IUPAC2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
SMILESCC(C)=CCc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H26O2/c1-20(2)13-14-23-17-24(26-18-21-9-5-3-6-10-21)15-16-25(23)27-19-22-11-7-4-8-12-22/h3-13,15-17H,14,18-19H2,1-2H3
InChIKeyWDPCYPBIFLBRKJ-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.35
Rot. Bonds8

About 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene

2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene (PubChem CID 11121904) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
PubChem CID11121904
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
SMILESCC(C)=CCc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H26O2/c1-20(2)13-14-23-17-24(26-18-21-9-5-3-6-10-21)15-16-25(23)27-19-22-11-7-4-8-12-22/h3-13,15-17H,14,18-19H2,1-2H3
InChIKeyWDPCYPBIFLBRKJ-UHFFFAOYSA-N
XLogP6.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
CID 175152033
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene?
The IUPAC name of 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene (CID 11121904) is 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene.
What is the SMILES notation for 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene?
The canonical SMILES for 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene is CC(C)=CCc1cc(OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene?
The InChIKey is WDPCYPBIFLBRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-20(2)13-14-23-17-24(26-18-21-9-5-3-6-10-21)15-16-25(23)27-19-22-11-7-4-8-12-22/h3-13,15-17H,14,18-19H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene?
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene has a molecular weight of 358.48 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene is sourced from PubChem (CID 11121904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).