[2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol

C39H42O6 — CID 58596355

IUPAC[2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol
SMILESCCCC1(C)c2cc(/C=C/c3cc(OC)c(CO)c(OC)c3)ccc2-c2ccc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc21
InChIInChI=1S/C39H42O6/c1-8-17-39(2)32-18-25(9-11-27-20-34(41-3)31(24-40)35(21-27)42-4)13-15-29(32)30-16-14-26(19-33(30)39)10-12-28-22-36(43-5)38(45-7)37(23-28)44-6/h9-16,18-23,40H,8,17,24H2,1-7H3/b11-9+,12-10+
InChIKeyPBNQAPDKOHEQAH-WGDLNXRISA-N
MW606.76 g/mol
LogP8.65
Rot. Bonds12

About [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol

[2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol (PubChem CID 58596355) has the molecular formula C39H42O6 and a molecular weight of 606.76 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol
PubChem CID58596355
Molecular FormulaC39H42O6
Molecular Weight606.76 g/mol
Exact Mass606.30
IUPAC Name[2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol
SMILESCCCC1(C)c2cc(/C=C/c3cc(OC)c(CO)c(OC)c3)ccc2-c2ccc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc21
InChIInChI=1S/C39H42O6/c1-8-17-39(2)32-18-25(9-11-27-20-34(41-3)31(24-40)35(21-27)42-4)13-15-29(32)30-16-14-26(19-33(30)39)10-12-28-22-36(43-5)38(45-7)37(23-28)44-6/h9-16,18-23,40H,8,17,24H2,1-7H3/b11-9+,12-10+
InChIKeyPBNQAPDKOHEQAH-WGDLNXRISA-N
XLogP8.65
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.76
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
CID 123931349
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
[2-(hydroxymethyl)-3-methoxy-5-[(Z)-2-(4-methoxy-3-methylphenyl)ethenyl]phenyl]methanol
CID 58173633
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol?
The IUPAC name of [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol (CID 58596355) is [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol.
What is the SMILES notation for [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol?
The canonical SMILES for [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol is CCCC1(C)c2cc(/C=C/c3cc(OC)c(CO)c(OC)c3)ccc2-c2ccc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc21.
What is the InChIKey of [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol?
The InChIKey is PBNQAPDKOHEQAH-WGDLNXRISA-N. The full InChI is InChI=1S/C39H42O6/c1-8-17-39(2)32-18-25(9-11-27-20-34(41-3)31(24-40)35(21-27)42-4)13-15-29(32)30-16-14-26(19-33(30)39)10-12-28-22-36(43-5)38(45-7)37(23-28)44-6/h9-16,18-23,40H,8,17,24H2,1-7H3/b11-9+,12-10+.
What are the key properties of [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol?
[2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol has a molecular weight of 606.76 g/mol, XLogP of 8.65, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[(E)-2-[9-methyl-9-propyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]methanol is sourced from PubChem (CID 58596355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).