5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene

C33H42O6 — CID 123581527

IUPAC5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene
SMILESCCCOC1=C(OC)C(C)C(C=Cc2ccc(C=Cc3cc(OC)c(OCCC)c(OC)c3)cc2)C=C1OC
InChIInChI=1S/C33H42O6/c1-8-18-38-32-28(34-4)20-26(21-29(32)35-5)15-14-24-10-12-25(13-11-24)16-17-27-22-30(36-6)33(39-19-9-2)31(37-7)23(27)3/h10-17,20-23,27H,8-9,18-19H2,1-7H3
InChIKeySSVDHGJXQBRPMB-UHFFFAOYSA-N
MW534.69 g/mol
LogP7.76
Rot. Bonds14

About 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene

5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene (PubChem CID 123581527) has the molecular formula C33H42O6 and a molecular weight of 534.69 g/mol. Its IUPAC name is 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene.

Molecular Properties

Compound Name5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene
PubChem CID123581527
Molecular FormulaC33H42O6
Molecular Weight534.69 g/mol
Exact Mass534.30
IUPAC Name5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene
SMILESCCCOC1=C(OC)C(C)C(C=Cc2ccc(C=Cc3cc(OC)c(OCCC)c(OC)c3)cc2)C=C1OC
InChIInChI=1S/C33H42O6/c1-8-18-38-32-28(34-4)20-26(21-29(32)35-5)15-14-24-10-12-25(13-11-24)16-17-27-22-30(36-6)33(39-19-9-2)31(37-7)23(27)3/h10-17,20-23,27H,8-9,18-19H2,1-7H3
InChIKeySSVDHGJXQBRPMB-UHFFFAOYSA-N
XLogP7.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene?
The IUPAC name of 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene (CID 123581527) is 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene.
What is the SMILES notation for 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene?
The canonical SMILES for 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene is CCCOC1=C(OC)C(C)C(C=Cc2ccc(C=Cc3cc(OC)c(OCCC)c(OC)c3)cc2)C=C1OC.
What is the InChIKey of 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene?
The InChIKey is SSVDHGJXQBRPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42O6/c1-8-18-38-32-28(34-4)20-26(21-29(32)35-5)15-14-24-10-12-25(13-11-24)16-17-27-22-30(36-6)33(39-19-9-2)31(37-7)23(27)3/h10-17,20-23,27H,8-9,18-19H2,1-7H3.
What are the key properties of 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene?
5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene has a molecular weight of 534.69 g/mol, XLogP of 7.76, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-(3,5-dimethoxy-6-methyl-4-propoxycyclohexa-2,4-dien-1-yl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene is sourced from PubChem (CID 123581527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).