7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol

C16H16O3 — CID 15628202

IUPAC7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol
SMILESCOc1cc2c(cc1O)CC(c1ccccc1)CO2
InChIInChI=1S/C16H16O3/c1-18-16-9-15-12(8-14(16)17)7-13(10-19-15)11-5-3-2-4-6-11/h2-6,8-9,13,17H,7,10H2,1H3
InChIKeyNJQITXKFLXPMPW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.12
Rot. Bonds2

About 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol

7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 15628202) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol
PubChem CID15628202
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol
SMILESCOc1cc2c(cc1O)CC(c1ccccc1)CO2
InChIInChI=1S/C16H16O3/c1-18-16-9-15-12(8-14(16)17)7-13(10-19-15)11-5-3-2-4-6-11/h2-6,8-9,13,17H,7,10H2,1H3
InChIKeyNJQITXKFLXPMPW-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol (CID 15628202) is 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol is COc1cc2c(cc1O)CC(c1ccccc1)CO2.
What is the InChIKey of 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is NJQITXKFLXPMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-16-9-15-12(8-14(16)17)7-13(10-19-15)11-5-3-2-4-6-11/h2-6,8-9,13,17H,7,10H2,1H3.
What are the key properties of 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 256.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 15628202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).