2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

C29H30O3 — CID 70681265

IUPAC2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(-c2ccc(OC)c(CC=C)c2)c1
InChIInChI=1S/C29H30O3/c1-6-9-20-16-25(21-12-14-27(31-4)23(18-21)10-7-2)29(30)26(17-20)22-13-15-28(32-5)24(19-22)11-8-3/h6-8,12-19,30H,1-3,9-11H2,4-5H3
InChIKeyRMLGFOIKWNFTJX-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.93
Rot. Bonds10

About 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 70681265) has the molecular formula C29H30O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID70681265
Molecular FormulaC29H30O3
Molecular Weight426.56 g/mol
Exact Mass426.22
IUPAC Name2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(-c2ccc(OC)c(CC=C)c2)c1
InChIInChI=1S/C29H30O3/c1-6-9-20-16-25(21-12-14-27(31-4)23(18-21)10-7-2)29(30)26(17-20)22-13-15-28(32-5)24(19-22)11-8-3/h6-8,12-19,30H,1-3,9-11H2,4-5H3
InChIKeyRMLGFOIKWNFTJX-UHFFFAOYSA-N
XLogP6.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Magnolol
CID 72300
Honokiol
CID 72303
Chlorotrianisene
CID 11289
Bisphenol C
CID 6620
4-Methoxybiphenyl
CID 11943
4,4'-Isopropylidenedi-2,6-xylol
CID 79717
2,6-Di-tert-butyl-4-methoxyphenol
CID 10269
2,4-Dicumylphenol
CID 76013
1,1,1-Tris(4-hydroxyphenyl)ethane
CID 93118
Phenol, 4,4'-cyclohexylidenebis[2-methyl-
CID 75386
4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)
CID 4134035
Phenol, 4,4'-(1-methylethylidene)bis(2-(2-propen-1-yl)-
CID 74457

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 70681265) is 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(-c2ccc(OC)c(CC=C)c2)c1.
What is the InChIKey of 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is RMLGFOIKWNFTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O3/c1-6-9-20-16-25(21-12-14-27(31-4)23(18-21)10-7-2)29(30)26(17-20)22-13-15-28(32-5)24(19-22)11-8-3/h6-8,12-19,30H,1-3,9-11H2,4-5H3.
What are the key properties of 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 426.56 g/mol, XLogP of 6.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 70681265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).