3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol

C15H20O3 — CID 106471269

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1CC1CCOc2ccccc21
InChIInChI=1S/C15H20O3/c16-14-6-7-17-10-12(14)9-11-5-8-18-15-4-2-1-3-13(11)15/h1-4,11-12,14,16H,5-10H2
InChIKeyJXJLBTFFYULOON-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.34
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol

3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol (PubChem CID 106471269) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol
PubChem CID106471269
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1CC1CCOc2ccccc21
InChIInChI=1S/C15H20O3/c16-14-6-7-17-10-12(14)9-11-5-8-18-15-4-2-1-3-13(11)15/h1-4,11-12,14,16H,5-10H2
InChIKeyJXJLBTFFYULOON-UHFFFAOYSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol
CID 104770871
2-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclobutane-1-carboxylic acid
CID 104772491
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
CID 104771813
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
CID 104772516
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol (CID 106471269) is 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol is OC1CCOCC1CC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol?
The InChIKey is JXJLBTFFYULOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-14-6-7-17-10-12(14)9-11-5-8-18-15-4-2-1-3-13(11)15/h1-4,11-12,14,16H,5-10H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol?
3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol has a molecular weight of 248.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethyl)oxan-4-ol is sourced from PubChem (CID 106471269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).