1-(4-methoxyphenyl)pyrene

C23H16O — CID 10902911

IUPAC1-(4-methoxyphenyl)pyrene
SMILESCOc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C23H16O/c1-24-19-11-7-15(8-12-19)20-13-9-18-6-5-16-3-2-4-17-10-14-21(20)23(18)22(16)17/h2-14H,1H3
InChIKeyXLIRWRGTBMAJBI-UHFFFAOYSA-N
MW308.38 g/mol
LogP6.26
Rot. Bonds2

About 1-(4-methoxyphenyl)pyrene

1-(4-methoxyphenyl)pyrene (PubChem CID 10902911) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)pyrene.

Molecular Properties

Compound Name1-(4-methoxyphenyl)pyrene
PubChem CID10902911
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name1-(4-methoxyphenyl)pyrene
SMILESCOc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C23H16O/c1-24-19-11-7-15(8-12-19)20-13-9-18-6-5-16-3-2-4-17-10-14-21(20)23(18)22(16)17/h2-14H,1H3
InChIKeyXLIRWRGTBMAJBI-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxynaphthalene
CID 7119
1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Naproxol
CID 3032818
4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
Nabumetone alcohol
CID 10911373
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
1-Methoxyphenanthrene
CID 43547
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)pyrene?
The IUPAC name of 1-(4-methoxyphenyl)pyrene (CID 10902911) is 1-(4-methoxyphenyl)pyrene.
What is the SMILES notation for 1-(4-methoxyphenyl)pyrene?
The canonical SMILES for 1-(4-methoxyphenyl)pyrene is COc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)pyrene?
The InChIKey is XLIRWRGTBMAJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c1-24-19-11-7-15(8-12-19)20-13-9-18-6-5-16-3-2-4-17-10-14-21(20)23(18)22(16)17/h2-14H,1H3.
What are the key properties of 1-(4-methoxyphenyl)pyrene?
1-(4-methoxyphenyl)pyrene has a molecular weight of 308.38 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)pyrene is sourced from PubChem (CID 10902911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).