2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium

C14H13O+ — CID 134910928

IUPAC2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium
SMILESc1ccc(-c2ccc3c([o+]2)CCC3)cc1
InChIInChI=1S/C14H13O/c1-2-5-11(6-3-1)14-10-9-12-7-4-8-13(12)15-14/h1-3,5-6,9-10H,4,7-8H2/q+1
InChIKeyLDWGUVGMBMPSII-UHFFFAOYSA-N
MW197.26 g/mol
LogP3.72
Rot. Bonds1

About 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium

2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium (PubChem CID 134910928) has the molecular formula C14H13O+ and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium
PubChem CID134910928
Molecular FormulaC14H13O+
Molecular Weight197.26 g/mol
Exact Mass197.10
IUPAC Name2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium
SMILESc1ccc(-c2ccc3c([o+]2)CCC3)cc1
InChIInChI=1S/C14H13O/c1-2-5-11(6-3-1)14-10-9-12-7-4-8-13(12)15-14/h1-3,5-6,9-10H,4,7-8H2/q+1
InChIKeyLDWGUVGMBMPSII-UHFFFAOYSA-N
XLogP3.72
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 53.72
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

2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-1-ium
CID 134911135
2-phenylchromenylium
CID 159562545
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene
CID 12582397
2-phenylchromenylium;hydrate
CID 172755683
4,9-bis(3-phenylphenyl)-1,2,3,6,7,8-hexahydropyrene
CID 59500798
4-(4-methoxyphenyl)-2-phenyl-7,8-dihydro-6H-chromen-1-ium-5-one
CID 12943621
2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102006717
3-methyl-2,6-diphenylpyrylium perchlorate
CID 14568808
1,1'-biphenyl;cycloheptane
CID 174877368

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium?
The IUPAC name of 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium (CID 134910928) is 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium.
What is the SMILES notation for 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium?
The canonical SMILES for 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium is c1ccc(-c2ccc3c([o+]2)CCC3)cc1.
What is the InChIKey of 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium?
The InChIKey is LDWGUVGMBMPSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O/c1-2-5-11(6-3-1)14-10-9-12-7-4-8-13(12)15-14/h1-3,5-6,9-10H,4,7-8H2/q+1.
What are the key properties of 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium?
2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium has a molecular weight of 197.26 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium is sourced from PubChem (CID 134910928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).