1-methoxy-2-(4-methoxyphenyl)pyrene

C24H18O2 — CID 174574739

IUPAC1-methoxy-2-(4-methoxyphenyl)pyrene
SMILESCOc1ccc(-c2cc3ccc4cccc5ccc(c2OC)c3c45)cc1
InChIInChI=1S/C24H18O2/c1-25-19-11-8-15(9-12-19)21-14-18-7-6-16-4-3-5-17-10-13-20(24(21)26-2)23(18)22(16)17/h3-14H,1-2H3
InChIKeyOTSZAPLXFHGUSF-UHFFFAOYSA-N
MW338.41 g/mol
LogP6.27
Rot. Bonds3

About 1-methoxy-2-(4-methoxyphenyl)pyrene

1-methoxy-2-(4-methoxyphenyl)pyrene (PubChem CID 174574739) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methoxy-2-(4-methoxyphenyl)pyrene.

Molecular Properties

Compound Name1-methoxy-2-(4-methoxyphenyl)pyrene
PubChem CID174574739
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name1-methoxy-2-(4-methoxyphenyl)pyrene
SMILESCOc1ccc(-c2cc3ccc4cccc5ccc(c2OC)c3c45)cc1
InChIInChI=1S/C24H18O2/c1-25-19-11-8-15(9-12-19)21-14-18-7-6-16-4-3-5-17-10-13-20(24(21)26-2)23(18)22(16)17/h3-14H,1-2H3
InChIKeyOTSZAPLXFHGUSF-UHFFFAOYSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.27
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

2-tert-butyl-1-(4-methoxyphenyl)pyrene
CID 175568076
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
1-(4-methoxyphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene
CID 59391261
9-(4-methoxyphenyl)-3,5-dimethylphenanthrene
CID 132819280
1,6-bis[3,5-bis(4-methoxyphenyl)phenyl]pyrene
CID 171600428
4-(7-pyren-4-ylnaphthalen-2-yl)pyrene
CID 59805090
1,2-bis(4-methoxyphenyl)-3-methylpyrene
CID 172999756
7,18-ditert-butyl-11,26-bis(4-methoxyphenyl)heptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3,5,7,9,11,13(23),14,16(24),17,19,21,25-tridecaene
CID 176553046
4-[3-[3,5-di(pyren-4-yl)phenyl]-5-pyren-4-ylphenyl]pyrene
CID 140757115
5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
CID 91537355
11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene
CID 73054883

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(4-methoxyphenyl)pyrene?
The IUPAC name of 1-methoxy-2-(4-methoxyphenyl)pyrene (CID 174574739) is 1-methoxy-2-(4-methoxyphenyl)pyrene.
What is the SMILES notation for 1-methoxy-2-(4-methoxyphenyl)pyrene?
The canonical SMILES for 1-methoxy-2-(4-methoxyphenyl)pyrene is COc1ccc(-c2cc3ccc4cccc5ccc(c2OC)c3c45)cc1.
What is the InChIKey of 1-methoxy-2-(4-methoxyphenyl)pyrene?
The InChIKey is OTSZAPLXFHGUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-25-19-11-8-15(9-12-19)21-14-18-7-6-16-4-3-5-17-10-13-20(24(21)26-2)23(18)22(16)17/h3-14H,1-2H3.
What are the key properties of 1-methoxy-2-(4-methoxyphenyl)pyrene?
1-methoxy-2-(4-methoxyphenyl)pyrene has a molecular weight of 338.41 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(4-methoxyphenyl)pyrene is sourced from PubChem (CID 174574739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).