[3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate

C30H34O6 — CID 129137282

IUPAC[3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate
SMILESCOCOc1ccc(C(=C(C)c2cccc(OC(=O)C(C)(C)C)c2)c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C30H34O6/c1-21(24-8-7-9-27(18-24)36-29(31)30(2,3)4)28(22-10-14-25(15-11-22)34-19-32-5)23-12-16-26(17-13-23)35-20-33-6/h7-18H,19-20H2,1-6H3
InChIKeyJBIZKIGPKIBQTR-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.58
Rot. Bonds10

About [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate

[3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate (PubChem CID 129137282) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate
PubChem CID129137282
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Name[3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate
SMILESCOCOc1ccc(C(=C(C)c2cccc(OC(=O)C(C)(C)C)c2)c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C30H34O6/c1-21(24-8-7-9-27(18-24)36-29(31)30(2,3)4)28(22-10-14-25(15-11-22)34-19-32-5)23-12-16-26(17-13-23)35-20-33-6/h7-18H,19-20H2,1-6H3
InChIKeyJBIZKIGPKIBQTR-UHFFFAOYSA-N
XLogP6.58
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[1,1-bis(4-hydroxyphenyl)prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate
CID 129137278
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
2-hydroxy-1-[3-(methoxymethoxy)phenyl]ethanone
CID 140768864
2-methoxyethyl 3,5-bis[2-[3-(2,2-dimethylpropanoyloxy)phenyl]ethynyl]benzoate
CID 158535628
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 140787869
[4-[1-[4-(2-oxoethoxy)phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 123914340
[4-[2-[4-[4-(methoxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(methoxymethoxy)benzoate
CID 58090351
methyl 4-(2,2-dimethylpropanoyloxymethoxy)benzoate
CID 175855563
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
[4-[(Z)-1,2-bis(3-acetyloxyphenyl)but-1-enyl]phenyl] acetate
CID 12787823
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
CID 172804788

Frequently Asked Questions

What is the IUPAC name of [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate (CID 129137282) is [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate is COCOc1ccc(C(=C(C)c2cccc(OC(=O)C(C)(C)C)c2)c2ccc(OCOC)cc2)cc1.
What is the InChIKey of [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is JBIZKIGPKIBQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-21(24-8-7-9-27(18-24)36-29(31)30(2,3)4)28(22-10-14-25(15-11-22)34-19-32-5)23-12-16-26(17-13-23)35-20-33-6/h7-18H,19-20H2,1-6H3.
What are the key properties of [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate?
[3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 490.60 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,1-bis[4-(methoxymethoxy)phenyl]prop-1-en-2-yl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 129137282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).