1,11-dimethoxychrysene

C20H16O2 — CID 175599943

IUPAC1,11-dimethoxychrysene
SMILESCOc1cccc2c1cc(OC)c1c3ccccc3ccc21
InChIInChI=1S/C20H16O2/c1-21-18-9-5-8-15-16-11-10-13-6-3-4-7-14(13)20(16)19(22-2)12-17(15)18/h3-12H,1-2H3
InChIKeyZYAUXQHMTDSNOM-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.16
Rot. Bonds2

About 1,11-dimethoxychrysene

1,11-dimethoxychrysene (PubChem CID 175599943) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,11-dimethoxychrysene.

Molecular Properties

Compound Name1,11-dimethoxychrysene
PubChem CID175599943
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name1,11-dimethoxychrysene
SMILESCOc1cccc2c1cc(OC)c1c3ccccc3ccc21
InChIInChI=1S/C20H16O2/c1-21-18-9-5-8-15-16-11-10-13-6-3-4-7-14(13)20(16)19(22-2)12-17(15)18/h3-12H,1-2H3
InChIKeyZYAUXQHMTDSNOM-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-methoxychrysene
CID 12935769
5-methoxybenzo[c]phenanthrene
CID 621003
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
4-methoxy-2-methylphenanthrene
CID 11775729
methanol;1-methoxynaphthalene;neptunium
CID 157299455
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
4-methoxyphenanthren-2-ol
CID 139248183
CID 175491197
CID 175491197
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-methoxynaphthalene;oxetane
CID 90030663
9,10-dimethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 122366804
1-methoxy-5-[(E)-2-methoxyethenyl]chrysene
CID 25192370

Frequently Asked Questions

What is the IUPAC name of 1,11-dimethoxychrysene?
The IUPAC name of 1,11-dimethoxychrysene (CID 175599943) is 1,11-dimethoxychrysene.
What is the SMILES notation for 1,11-dimethoxychrysene?
The canonical SMILES for 1,11-dimethoxychrysene is COc1cccc2c1cc(OC)c1c3ccccc3ccc21.
What is the InChIKey of 1,11-dimethoxychrysene?
The InChIKey is ZYAUXQHMTDSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-21-18-9-5-8-15-16-11-10-13-6-3-4-7-14(13)20(16)19(22-2)12-17(15)18/h3-12H,1-2H3.
What are the key properties of 1,11-dimethoxychrysene?
1,11-dimethoxychrysene has a molecular weight of 288.35 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethoxychrysene is sourced from PubChem (CID 175599943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).