3,4-dihydro-2H-chromen-2-yl phenyl carbonate

C16H14O4 — CID 54471598

IUPAC3,4-dihydro-2H-chromen-2-yl phenyl carbonate
SMILESO=C(Oc1ccccc1)OC1CCc2ccccc2O1
InChIInChI=1S/C16H14O4/c17-16(18-13-7-2-1-3-8-13)20-15-11-10-12-6-4-5-9-14(12)19-15/h1-9,15H,10-11H2
InChIKeyXITBHZIIFJWBLX-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.55
Rot. Bonds2

About 3,4-dihydro-2H-chromen-2-yl phenyl carbonate

3,4-dihydro-2H-chromen-2-yl phenyl carbonate (PubChem CID 54471598) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl phenyl carbonate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl phenyl carbonate
PubChem CID54471598
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3,4-dihydro-2H-chromen-2-yl phenyl carbonate
SMILESO=C(Oc1ccccc1)OC1CCc2ccccc2O1
InChIInChI=1S/C16H14O4/c17-16(18-13-7-2-1-3-8-13)20-15-11-10-12-6-4-5-9-14(12)19-15/h1-9,15H,10-11H2
InChIKeyXITBHZIIFJWBLX-UHFFFAOYSA-N
XLogP3.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-3,4-dihydro-2H-chromene
CID 14668691
3,4-dihydro-2H-chromen-2-yl trifluoromethanesulfonate
CID 19028100
[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate
CID 11338157
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
[4-(3,4-dihydro-2H-chromen-2-ylmethyl)phenyl] acetate
CID 19918517
amino 3,4-dihydro-2H-chromene-2-carboxylate
CID 59060293
4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol
CID 123628917
2-(benzenesulfinyl)-3,4-dihydro-2H-chromene
CID 100929300
1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol
CID 154341753
2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
CID 139962317
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
3,4-dihydro-2H-chromen-2-ylurea
CID 91352919

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl phenyl carbonate?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl phenyl carbonate (CID 54471598) is 3,4-dihydro-2H-chromen-2-yl phenyl carbonate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl phenyl carbonate?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl phenyl carbonate is O=C(Oc1ccccc1)OC1CCc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl phenyl carbonate?
The InChIKey is XITBHZIIFJWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-16(18-13-7-2-1-3-8-13)20-15-11-10-12-6-4-5-9-14(12)19-15/h1-9,15H,10-11H2.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl phenyl carbonate?
3,4-dihydro-2H-chromen-2-yl phenyl carbonate has a molecular weight of 270.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl phenyl carbonate is sourced from PubChem (CID 54471598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).