1-methoxy-5-[(E)-2-methoxyethenyl]chrysene

C22H18O2 — CID 25192370

IUPAC1-methoxy-5-[(E)-2-methoxyethenyl]chrysene
SMILESCO/C=C/c1cc2ccccc2c2ccc3c(OC)cccc3c12
InChIInChI=1S/C22H18O2/c1-23-13-12-16-14-15-6-3-4-7-17(15)20-11-10-18-19(22(16)20)8-5-9-21(18)24-2/h3-14H,1-2H3/b13-12+
InChIKeyQLRNFKDMAVCSDM-OUKQBFOZSA-N
MW314.38 g/mol
LogP5.77
Rot. Bonds3

About 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene

1-methoxy-5-[(E)-2-methoxyethenyl]chrysene (PubChem CID 25192370) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene.

Molecular Properties

Compound Name1-methoxy-5-[(E)-2-methoxyethenyl]chrysene
PubChem CID25192370
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name1-methoxy-5-[(E)-2-methoxyethenyl]chrysene
SMILESCO/C=C/c1cc2ccccc2c2ccc3c(OC)cccc3c12
InChIInChI=1S/C22H18O2/c1-23-13-12-16-14-15-6-3-4-7-17(15)20-11-10-18-19(22(16)20)8-5-9-21(18)24-2/h3-14H,1-2H3/b13-12+
InChIKeyQLRNFKDMAVCSDM-OUKQBFOZSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-(2-methoxyethenyl)phenyl]phenanthrene;pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 161220200
1,11-dimethoxychrysene
CID 175599943
1-(2-methoxyethenyl)-3-phenylnaphthalene
CID 156771298
3-methoxychrysene-5-carbaldehyde
CID 25194479
6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene
CID 11383724
6-methoxychrysene
CID 12935769
2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene
CID 11370501
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
methanol;1-methoxynaphthalene;neptunium
CID 157299455
5-methoxybenzo[c]phenanthrene
CID 621003
1-methoxyanthracen-9-amine
CID 23131408
1-chloro-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-7-methoxyphenanthrene
CID 15364465

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene?
The IUPAC name of 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene (CID 25192370) is 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene.
What is the SMILES notation for 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene?
The canonical SMILES for 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene is CO/C=C/c1cc2ccccc2c2ccc3c(OC)cccc3c12.
What is the InChIKey of 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene?
The InChIKey is QLRNFKDMAVCSDM-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H18O2/c1-23-13-12-16-14-15-6-3-4-7-17(15)20-11-10-18-19(22(16)20)8-5-9-21(18)24-2/h3-14H,1-2H3/b13-12+.
What are the key properties of 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene?
1-methoxy-5-[(E)-2-methoxyethenyl]chrysene has a molecular weight of 314.38 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-[(E)-2-methoxyethenyl]chrysene is sourced from PubChem (CID 25192370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).