calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene

C16H18CaO4 — CID 175471981

IUPACcalcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
SMILESO=C(O)O.[Ca+2].[H-].[H-].c1ccc(C2CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14O.CH2O3.Ca.2H/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2-1(3)4;;;/h1-9,15H,10-11H2;(H2,2,3,4);;;/q;;+2;2*-1
InChIKeyDHOIYEJLVYDTTD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.82
Rot. Bonds1

About calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene

calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 175471981) has the molecular formula C16H18CaO4 and a molecular weight of 314.39 g/mol. Its IUPAC name is calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Namecalcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
PubChem CID175471981
Molecular FormulaC16H18CaO4
Molecular Weight314.39 g/mol
Exact Mass314.08
IUPAC Namecalcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
SMILESO=C(O)O.[Ca+2].[H-].[H-].c1ccc(C2CCc3ccccc3O2)cc1
InChIInChI=1S/C15H14O.CH2O3.Ca.2H/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2-1(3)4;;;/h1-9,15H,10-11H2;(H2,2,3,4);;;/q;;+2;2*-1
InChIKeyDHOIYEJLVYDTTD-UHFFFAOYSA-N
XLogP3.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
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CID 57215409
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
2-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
CID 12951842
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
[3-(3,4-dihydro-2H-chromen-2-yl)phenyl] dihydrogen phosphate
CID 67865556
6-ethyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 151096967
2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromene
CID 173225746
7-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 134989904
5-phenyloxolan-2-one
CID 13884
4-amino-2-(3,4-dihydro-2H-chromen-2-yl)pyridine-3-carboxylic acid
CID 175762341

Frequently Asked Questions

What is the IUPAC name of calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene (CID 175471981) is calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene is O=C(O)O.[Ca+2].[H-].[H-].c1ccc(C2CCc3ccccc3O2)cc1.
What is the InChIKey of calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is DHOIYEJLVYDTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.CH2O3.Ca.2H/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2-1(3)4;;;/h1-9,15H,10-11H2;(H2,2,3,4);;;/q;;+2;2*-1.
What are the key properties of calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene?
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 314.39 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 175471981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).