1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene

C38H44O6 — CID 59742568

IUPAC1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene
SMILESCCC(C)Oc1c(OC)cc(/C=C/c2cccc3cccc(/C=C/c4cc(OC)c(OC(C)CC)c(OC)c4)c23)cc1OC
InChIInChI=1S/C38H44O6/c1-9-25(3)43-37-32(39-5)21-27(22-33(37)40-6)17-19-30-15-11-13-29-14-12-16-31(36(29)30)20-18-28-23-34(41-7)38(35(24-28)42-8)44-26(4)10-2/h11-26H,9-10H2,1-8H3/b19-17+,20-18+
InChIKeyCQBBSHNMLXQIKJ-XPWSMXQVSA-N
MW596.76 g/mol
LogP9.57
Rot. Bonds14

About 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene

1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene (PubChem CID 59742568) has the molecular formula C38H44O6 and a molecular weight of 596.76 g/mol. Its IUPAC name is 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene
PubChem CID59742568
Molecular FormulaC38H44O6
Molecular Weight596.76 g/mol
Exact Mass596.31
IUPAC Name1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene
SMILESCCC(C)Oc1c(OC)cc(/C=C/c2cccc3cccc(/C=C/c4cc(OC)c(OC(C)CC)c(OC)c4)c23)cc1OC
InChIInChI=1S/C38H44O6/c1-9-25(3)43-37-32(39-5)21-27(22-33(37)40-6)17-19-30-15-11-13-29-14-12-16-31(36(29)30)20-18-28-23-34(41-7)38(35(24-28)42-8)44-26(4)10-2/h11-26H,9-10H2,1-8H3/b19-17+,20-18+
InChIKeyCQBBSHNMLXQIKJ-XPWSMXQVSA-N
XLogP9.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.76
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yloxy-5-[2-[4-[2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethyl-3-methoxybenzene
CID 72553327
[5-[(E)-2-[4-[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-3-(hydroxymethyl)-2-propan-2-yloxyphenyl]methanol
CID 58325751
2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(4-cyclohexyloxy-3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 59289897
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
2-butan-2-yloxy-1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene;[2-butan-2-yloxy-3-(hydroxymethyl)-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
CID 158544909
1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(3-chlorophenyl)methanimine
CID 126391506
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
CID 126386568
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-3-hydroxybenzamide
CID 126380002
2-butan-2-yloxy-5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-pentan-3-yloxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene;5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-pentan-3-yloxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-pentan-3-yloxybenzene;5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-pentan-3-yloxyphenyl)ethenyl]phenyl]ethenyl]-1,3-dimethoxy-2-propoxybenzene;5-[(E)-2-[4-[(E)-2-(3,5-dimethoxy-4-pentan-3-yloxyphenyl)ethenyl]phenyl]ethenyl]-2-(2-ethylhexoxy)-1,3-dimethoxybenzene
CID 160712813
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
CID 54930550
3-[[4-[(2R)-butan-2-yl]oxy-3,5-dimethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126410410

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene?
The IUPAC name of 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene (CID 59742568) is 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene.
What is the SMILES notation for 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene?
The canonical SMILES for 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene is CCC(C)Oc1c(OC)cc(/C=C/c2cccc3cccc(/C=C/c4cc(OC)c(OC(C)CC)c(OC)c4)c23)cc1OC.
What is the InChIKey of 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene?
The InChIKey is CQBBSHNMLXQIKJ-XPWSMXQVSA-N. The full InChI is InChI=1S/C38H44O6/c1-9-25(3)43-37-32(39-5)21-27(22-33(37)40-6)17-19-30-15-11-13-29-14-12-16-31(36(29)30)20-18-28-23-34(41-7)38(35(24-28)42-8)44-26(4)10-2/h11-26H,9-10H2,1-8H3/b19-17+,20-18+.
What are the key properties of 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene?
1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene has a molecular weight of 596.76 g/mol, XLogP of 9.57, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[(E)-2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethenyl]naphthalene is sourced from PubChem (CID 59742568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).