2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol

C15H20O3 — CID 65331476

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol
SMILESOC(CC1OCCc2ccccc21)C1CCCO1
InChIInChI=1S/C15H20O3/c16-13(14-6-3-8-17-14)10-15-12-5-2-1-4-11(12)7-9-18-15/h1-2,4-5,13-16H,3,6-10H2
InChIKeySEVBVAOEZYQQRS-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.23
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol (PubChem CID 65331476) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol
PubChem CID65331476
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol
SMILESOC(CC1OCCc2ccccc21)C1CCCO1
InChIInChI=1S/C15H20O3/c16-13(14-6-3-8-17-14)10-15-12-5-2-1-4-11(12)7-9-18-15/h1-2,4-5,13-16H,3,6-10H2
InChIKeySEVBVAOEZYQQRS-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115809561
2-cyclopentyl-3-(3,4-dihydro-1H-isochromen-1-yl)propanoic acid
CID 115926238
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-iodophenyl)ethanol
CID 115809682
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)pentan-2-one
CID 79428811
3-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)propane-1,2-diol
CID 79683414
[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
CID 114984729
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethoxybutan-2-ol
CID 114983995
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115809555
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol (CID 65331476) is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol is OC(CC1OCCc2ccccc21)C1CCCO1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol?
The InChIKey is SEVBVAOEZYQQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-13(14-6-3-8-17-14)10-15-12-5-2-1-4-11(12)7-9-18-15/h1-2,4-5,13-16H,3,6-10H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol?
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol has a molecular weight of 248.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol is sourced from PubChem (CID 65331476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).