6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene

C28H22O2 — CID 11383724

IUPAC6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene
SMILESCO/C=C/c1cc(OC)ccc1-c1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C28H22O2/c1-29-16-15-20-17-21(30-2)12-14-23(20)28-18-27-22-8-4-3-7-19(22)11-13-26(27)24-9-5-6-10-25(24)28/h3-18H,1-2H3/b16-15+
InChIKeyGATPJAFKNKWAJU-FOCLMDBBSA-N
MW390.48 g/mol
LogP7.44
Rot. Bonds4

About 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene

6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene (PubChem CID 11383724) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene.

Molecular Properties

Compound Name6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene
PubChem CID11383724
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene
SMILESCO/C=C/c1cc(OC)ccc1-c1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C28H22O2/c1-29-16-15-20-17-21(30-2)12-14-23(20)28-18-27-22-8-4-3-7-19(22)11-13-26(27)24-9-5-6-10-25(24)28/h3-18H,1-2H3/b16-15+
InChIKeyGATPJAFKNKWAJU-FOCLMDBBSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 57.44
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'}

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Related Compounds

5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
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
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
3-methoxychrysene-5-carbaldehyde
CID 25194479
1-methoxy-5-[(E)-2-methoxyethenyl]chrysene
CID 25192370
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
6-methoxychrysene
CID 12935769
4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile
CID 101247472
1-(4-methoxyphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene
CID 59391261
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
CID 11243834

Frequently Asked Questions

What is the IUPAC name of 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene?
The IUPAC name of 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene (CID 11383724) is 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene.
What is the SMILES notation for 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene?
The canonical SMILES for 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene is CO/C=C/c1cc(OC)ccc1-c1cc2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene?
The InChIKey is GATPJAFKNKWAJU-FOCLMDBBSA-N. The full InChI is InChI=1S/C28H22O2/c1-29-16-15-20-17-21(30-2)12-14-23(20)28-18-27-22-8-4-3-7-19(22)11-13-26(27)24-9-5-6-10-25(24)28/h3-18H,1-2H3/b16-15+.
What are the key properties of 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene?
6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene has a molecular weight of 390.48 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methoxy-2-[(E)-2-methoxyethenyl]phenyl]chrysene is sourced from PubChem (CID 11383724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).