6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol

C16H16O3 — CID 54761596

IUPAC6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
SMILESOCc1ccc2c(c1)C(c1ccccc1)CC(O)O2
InChIInChI=1S/C16H16O3/c17-10-11-6-7-15-14(8-11)13(9-16(18)19-15)12-4-2-1-3-5-12/h1-8,13,16-18H,9-10H2
InChIKeyDRPFJHGJDRIHLZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.41
Rot. Bonds2

About 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol

6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol (PubChem CID 54761596) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
PubChem CID54761596
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
SMILESOCc1ccc2c(c1)C(c1ccccc1)CC(O)O2
InChIInChI=1S/C16H16O3/c17-10-11-6-7-15-14(8-11)13(9-16(18)19-15)12-4-2-1-3-5-12/h1-8,13,16-18H,9-10H2
InChIKeyDRPFJHGJDRIHLZ-UHFFFAOYSA-N
XLogP2.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
The IUPAC name of 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol (CID 54761596) is 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol.
What is the SMILES notation for 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
The canonical SMILES for 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol is OCc1ccc2c(c1)C(c1ccccc1)CC(O)O2.
What is the InChIKey of 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
The InChIKey is DRPFJHGJDRIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-10-11-6-7-15-14(8-11)13(9-16(18)19-15)12-4-2-1-3-5-12/h1-8,13,16-18H,9-10H2.
What are the key properties of 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol has a molecular weight of 256.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol is sourced from PubChem (CID 54761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).