4-methyl-2-phenylbenzo[h]chromen-1-ium

C20H15O+ — CID 142492639

IUPAC4-methyl-2-phenylbenzo[h]chromen-1-ium
SMILESCc1cc(-c2ccccc2)[o+]c2c1ccc1ccccc12
InChIInChI=1S/C20H15O/c1-14-13-19(16-8-3-2-4-9-16)21-20-17(14)12-11-15-7-5-6-10-18(15)20/h2-13H,1H3/q+1
InChIKeyXPMDGZBBQYHLFX-UHFFFAOYSA-N
MW271.34 g/mol
LogP5.84
Rot. Bonds1

About 4-methyl-2-phenylbenzo[h]chromen-1-ium

4-methyl-2-phenylbenzo[h]chromen-1-ium (PubChem CID 142492639) has the molecular formula C20H15O+ and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methyl-2-phenylbenzo[h]chromen-1-ium.

Molecular Properties

Compound Name4-methyl-2-phenylbenzo[h]chromen-1-ium
PubChem CID142492639
Molecular FormulaC20H15O+
Molecular Weight271.34 g/mol
Exact Mass271.11
IUPAC Name4-methyl-2-phenylbenzo[h]chromen-1-ium
SMILESCc1cc(-c2ccccc2)[o+]c2c1ccc1ccccc12
InChIInChI=1S/C20H15O/c1-14-13-19(16-8-3-2-4-9-16)21-20-17(14)12-11-15-7-5-6-10-18(15)20/h2-13H,1H3/q+1
InChIKeyXPMDGZBBQYHLFX-UHFFFAOYSA-N
XLogP5.84
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.34
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-phenylbenzo[h]chromen-1-ium
CID 142492624
6-methyl-2,4-diphenylbenzo[h]chromen-1-ium
CID 154717150
1-methyl-3-phenylbenzo[f]chromen-4-ium tetrafluoroborate
CID 153489891
4-ethoxy-2-(4-methoxyphenyl)benzo[h]chromen-1-ium chloride
CID 2849208
9-tert-butyl-7-(2,6-dimethylphenyl)benzo[c]xanthen-12-ium tetrafluoroborate
CID 164678347
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
1-methylphenanthrene-3-carbaldehyde
CID 100959540
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
10-methylpentacyclo[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 24939091
1,3-diphenylphenanthrene
CID 13011098
1,3,4-trimethylphenanthrene
CID 53421592

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylbenzo[h]chromen-1-ium?
The IUPAC name of 4-methyl-2-phenylbenzo[h]chromen-1-ium (CID 142492639) is 4-methyl-2-phenylbenzo[h]chromen-1-ium.
What is the SMILES notation for 4-methyl-2-phenylbenzo[h]chromen-1-ium?
The canonical SMILES for 4-methyl-2-phenylbenzo[h]chromen-1-ium is Cc1cc(-c2ccccc2)[o+]c2c1ccc1ccccc12.
What is the InChIKey of 4-methyl-2-phenylbenzo[h]chromen-1-ium?
The InChIKey is XPMDGZBBQYHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15O/c1-14-13-19(16-8-3-2-4-9-16)21-20-17(14)12-11-15-7-5-6-10-18(15)20/h2-13H,1H3/q+1.
What are the key properties of 4-methyl-2-phenylbenzo[h]chromen-1-ium?
4-methyl-2-phenylbenzo[h]chromen-1-ium has a molecular weight of 271.34 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylbenzo[h]chromen-1-ium is sourced from PubChem (CID 142492639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).