2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium

C25H23O2+ — CID 3822012

IUPAC2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium
SMILESCOc1ccc(-c2cc(CCCc3ccccc3)c3ccccc3[o+]2)cc1
InChIInChI=1S/C25H23O2/c1-26-22-16-14-20(15-17-22)25-18-21(23-12-5-6-13-24(23)27-25)11-7-10-19-8-3-2-4-9-19/h2-6,8-9,12-18H,7,10-11H2,1H3/q+1
InChIKeyDYRIAJUFJJUSIG-UHFFFAOYSA-N
MW355.46 g/mol
LogP6.56
Rot. Bonds6

About 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium

2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium (PubChem CID 3822012) has the molecular formula C25H23O2+ and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium
PubChem CID3822012
Molecular FormulaC25H23O2+
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium
SMILESCOc1ccc(-c2cc(CCCc3ccccc3)c3ccccc3[o+]2)cc1
InChIInChI=1S/C25H23O2/c1-26-22-16-14-20(15-17-22)25-18-21(23-12-5-6-13-24(23)27-25)11-7-10-19-8-3-2-4-9-19/h2-6,8-9,12-18H,7,10-11H2,1H3/q+1
InChIKeyDYRIAJUFJJUSIG-UHFFFAOYSA-N
XLogP6.56
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
7-(4-methoxyphenyl)-6-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10133746
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 132576482
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
4-[(4-methoxyphenyl)methyl]-2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium
CID 134911427
2-(3-methoxyphenyl)-4-[2-(4-methylphenyl)ethyl]quinoline
CID 143088699
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium?
The IUPAC name of 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium (CID 3822012) is 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium is COc1ccc(-c2cc(CCCc3ccccc3)c3ccccc3[o+]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium?
The InChIKey is DYRIAJUFJJUSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23O2/c1-26-22-16-14-20(15-17-22)25-18-21(23-12-5-6-13-24(23)27-25)11-7-10-19-8-3-2-4-9-19/h2-6,8-9,12-18H,7,10-11H2,1H3/q+1.
What are the key properties of 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium?
2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium has a molecular weight of 355.46 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(3-phenylpropyl)chromenylium is sourced from PubChem (CID 3822012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).