4-phenylchromenylium

C15H11O+ — CID 12828704

IUPAC4-phenylchromenylium
SMILESc1ccc(-c2cc[o+]c3ccccc23)cc1
InChIInChI=1S/C15H11O/c1-2-6-12(7-3-1)13-10-11-16-15-9-5-4-8-14(13)15/h1-11H/q+1
InChIKeyDMSVRSLWBYVQSN-UHFFFAOYSA-N
MW207.25 g/mol
LogP4.38
Rot. Bonds1

About 4-phenylchromenylium

4-phenylchromenylium (PubChem CID 12828704) has the molecular formula C15H11O+ and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-phenylchromenylium.

Molecular Properties

Compound Name4-phenylchromenylium
PubChem CID12828704
Molecular FormulaC15H11O+
Molecular Weight207.25 g/mol
Exact Mass207.08
IUPAC Name4-phenylchromenylium
SMILESc1ccc(-c2cc[o+]c3ccccc23)cc1
InChIInChI=1S/C15H11O/c1-2-6-12(7-3-1)13-10-11-16-15-9-5-4-8-14(13)15/h1-11H/q+1
InChIKeyDMSVRSLWBYVQSN-UHFFFAOYSA-N
XLogP4.38
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-phenylnaphthalene
CID 46314926
7,17,27-tris(4-phenylphenyl)heptacyclo[20.8.0.02,11.03,8.012,21.013,18.023,28]triaconta-1,3(8),4,6,9,11,13(18),14,16,19,21,23(28),24,26,29-pentadecaene
CID 139812806
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
CID 177495996
1,4,8,11-tetraphenylpentacene
CID 102295223
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
N,N-dihydroxy-4-phenylnaphthalen-1-amine
CID 165155590
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine
CID 145272952

Frequently Asked Questions

What is the IUPAC name of 4-phenylchromenylium?
The IUPAC name of 4-phenylchromenylium (CID 12828704) is 4-phenylchromenylium.
What is the SMILES notation for 4-phenylchromenylium?
The canonical SMILES for 4-phenylchromenylium is c1ccc(-c2cc[o+]c3ccccc23)cc1.
What is the InChIKey of 4-phenylchromenylium?
The InChIKey is DMSVRSLWBYVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O/c1-2-6-12(7-3-1)13-10-11-16-15-9-5-4-8-14(13)15/h1-11H/q+1.
What are the key properties of 4-phenylchromenylium?
4-phenylchromenylium has a molecular weight of 207.25 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylchromenylium is sourced from PubChem (CID 12828704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).