3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol

C15H20O3 — CID 115837861

IUPAC3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)c1cccc2c1OCCC2
InChIInChI=1S/C15H20O3/c1-10-7-9-18-14(10)13(16)12-6-2-4-11-5-3-8-17-15(11)12/h2,4,6,10,13-14,16H,3,5,7-9H2,1H3
InChIKeySJGFKQXAFGUKAT-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.47
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol

3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol (PubChem CID 115837861) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
PubChem CID115837861
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)c1cccc2c1OCCC2
InChIInChI=1S/C15H20O3/c1-10-7-9-18-14(10)13(16)12-6-2-4-11-5-3-8-17-15(11)12/h2,4,6,10,13-14,16H,3,5,7-9H2,1H3
InChIKeySJGFKQXAFGUKAT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol
CID 114744756
3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105130614
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115799765

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol (CID 115837861) is 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol is CC1CCOC1C(O)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol?
The InChIKey is SJGFKQXAFGUKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-7-9-18-14(10)13(16)12-6-2-4-11-5-3-8-17-15(11)12/h2,4,6,10,13-14,16H,3,5,7-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol?
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol has a molecular weight of 248.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol is sourced from PubChem (CID 115837861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).