hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one

C15H14O2 — CID 139089631

IUPAChydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one
SMILESO=C1CCCC2=C1[C@@H](c1cc[c-]cc1)C=CO2.[H+]
InChIInChI=1S/C15H13O2/c16-13-7-4-8-14-15(13)12(9-10-17-14)11-5-2-1-3-6-11/h2-3,5-6,9-10,12H,4,7-8H2/q-1/p+1/t12-/m1/s1
InChIKeyLRTXEASHHFBLCJ-GFCCVEGCSA-O
MW226.28 g/mol
LogP3.23
Rot. Bonds1

About hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one

hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one (PubChem CID 139089631) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Namehydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one
PubChem CID139089631
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Namehydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one
SMILESO=C1CCCC2=C1[C@@H](c1cc[c-]cc1)C=CO2.[H+]
InChIInChI=1S/C15H13O2/c16-13-7-4-8-14-15(13)12(9-10-17-14)11-5-2-1-3-6-11/h2-3,5-6,9-10,12H,4,7-8H2/q-1/p+1/t12-/m1/s1
InChIKeyLRTXEASHHFBLCJ-GFCCVEGCSA-O
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
5-Oxo-5,6,7,8-tetrahydro-4h-chromene
CID 14993949
Hexahydrobenzo chromen-4-one
CID 129844594
7-methoxy-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
CID 13905843
7,7-dimethyl-6,8-dihydro-4H-chromen-5-one
CID 68829033
1,6,6a,7,10a,10b-Hexahydrobenzo[c]chromen-8-one
CID 69154345
6-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 70000980
2,3,4a,5,5a,6-Hexahydrobenzo[g]chromen-4-one
CID 70342812
(4aS,10bS)-1,2,3,4,4a,10,10a,10b-octahydrobenzo[c]chromen-9-one
CID 70557593
4-Propan-2-yl-4,6,7,8-tetrahydrochromen-5-one
CID 90112278
7,7-dimethyl-4-propan-2-yl-6,8-dihydro-4H-chromen-5-one
CID 90112408
4,4-dimethyl-7,8-dihydro-6H-chromen-5-one
CID 90113209

Frequently Asked Questions

What is the IUPAC name of hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one (CID 139089631) is hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one is O=C1CCCC2=C1[C@@H](c1cc[c-]cc1)C=CO2.[H+].
What is the InChIKey of hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one?
The InChIKey is LRTXEASHHFBLCJ-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H13O2/c16-13-7-4-8-14-15(13)12(9-10-17-14)11-5-2-1-3-6-11/h2-3,5-6,9-10,12H,4,7-8H2/q-1/p+1/t12-/m1/s1.
What are the key properties of hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one?
hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one has a molecular weight of 226.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 139089631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).