4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene

C34H36O4 — CID 102177256

IUPAC4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
SMILESCOc1ccc(C(=C(c2ccc(OC)cc2C)c2ccc(OC)cc2C)c2ccc(OC)cc2C)c(C)c1
InChIInChI=1S/C34H36O4/c1-21-17-25(35-5)9-13-29(21)33(30-14-10-26(36-6)18-22(30)2)34(31-15-11-27(37-7)19-23(31)3)32-16-12-28(38-8)20-24(32)4/h9-20H,1-8H3
InChIKeySEHCWAAHANQZPU-UHFFFAOYSA-N
MW508.66 g/mol
LogP7.96
Rot. Bonds8

About 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene

4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene (PubChem CID 102177256) has the molecular formula C34H36O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
PubChem CID102177256
Molecular FormulaC34H36O4
Molecular Weight508.66 g/mol
Exact Mass508.26
IUPAC Name4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
SMILESCOc1ccc(C(=C(c2ccc(OC)cc2C)c2ccc(OC)cc2C)c2ccc(OC)cc2C)c(C)c1
InChIInChI=1S/C34H36O4/c1-21-17-25(35-5)9-13-29(21)33(30-14-10-26(36-6)18-22(30)2)34(31-15-11-27(37-7)19-23(31)3)32-16-12-28(38-8)20-24(32)4/h9-20H,1-8H3
InChIKeySEHCWAAHANQZPU-UHFFFAOYSA-N
XLogP7.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
ethane;(1E)-1-(4-methoxy-2-methylphenyl)buta-1,3-dien-1-ol
CID 142019265
(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane
CID 22382274
1-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-one
CID 18182744
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine
CID 79591542
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-methoxy-2-methylphenyl)pentan-1-one
CID 146007229

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene?
The IUPAC name of 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene (CID 102177256) is 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene?
The canonical SMILES for 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene is COc1ccc(C(=C(c2ccc(OC)cc2C)c2ccc(OC)cc2C)c2ccc(OC)cc2C)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene?
The InChIKey is SEHCWAAHANQZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O4/c1-21-17-25(35-5)9-13-29(21)33(30-14-10-26(36-6)18-22(30)2)34(31-15-11-27(37-7)19-23(31)3)32-16-12-28(38-8)20-24(32)4/h9-20H,1-8H3.
What are the key properties of 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene?
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene has a molecular weight of 508.66 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 102177256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).