3-(4-chlorophenyl)-2-methylchromenylium

C16H12ClO+ — CID 21312470

IUPAC3-(4-chlorophenyl)-2-methylchromenylium
SMILESCc1[o+]c2ccccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClO/c1-11-15(12-6-8-14(17)9-7-12)10-13-4-2-3-5-16(13)18-11/h2-10H,1H3/q+1
InChIKeyRPSAUDORQCCJBV-UHFFFAOYSA-N
MW255.72 g/mol
LogP5.34
Rot. Bonds1

About 3-(4-chlorophenyl)-2-methylchromenylium

3-(4-chlorophenyl)-2-methylchromenylium (PubChem CID 21312470) has the molecular formula C16H12ClO+ and a molecular weight of 255.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methylchromenylium.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methylchromenylium
PubChem CID21312470
Molecular FormulaC16H12ClO+
Molecular Weight255.72 g/mol
Exact Mass255.06
IUPAC Name3-(4-chlorophenyl)-2-methylchromenylium
SMILESCc1[o+]c2ccccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClO/c1-11-15(12-6-8-14(17)9-7-12)10-13-4-2-3-5-16(13)18-11/h2-10H,1H3/q+1
InChIKeyRPSAUDORQCCJBV-UHFFFAOYSA-N
XLogP5.34
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.72
LogP ≤ 55.34
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

xanthylium perchlorate
CID 12535320
9-(4-chlorophenyl)pentacyclo[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 177100193
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
4-(4-chlorophenyl)pyrrolo[1,2-a]quinoline
CID 42612557
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-(2-bromo-4-chlorophenyl)-3-phenylnaphthalene
CID 170343063
6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
CID 12706208
2-[3-(4-chlorophenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 154697410
3-(4-chlorophenyl)thiochromen-2-one
CID 134101391
1-(6-chloronaphthalen-2-yl)-4-phenylnaphthalene
CID 164745827

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methylchromenylium?
The IUPAC name of 3-(4-chlorophenyl)-2-methylchromenylium (CID 21312470) is 3-(4-chlorophenyl)-2-methylchromenylium.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methylchromenylium?
The canonical SMILES for 3-(4-chlorophenyl)-2-methylchromenylium is Cc1[o+]c2ccccc2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methylchromenylium?
The InChIKey is RPSAUDORQCCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClO/c1-11-15(12-6-8-14(17)9-7-12)10-13-4-2-3-5-16(13)18-11/h2-10H,1H3/q+1.
What are the key properties of 3-(4-chlorophenyl)-2-methylchromenylium?
3-(4-chlorophenyl)-2-methylchromenylium has a molecular weight of 255.72 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methylchromenylium is sourced from PubChem (CID 21312470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).