2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol

C13H18O2 — CID 117295105

IUPAC2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2c(c1)COCC2
InChIInChI=1S/C13H18O2/c1-13(2,9-14)12-4-3-10-5-6-15-8-11(10)7-12/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeyHVDATRHUXQISIB-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.03
Rot. Bonds2

About 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol

2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol (PubChem CID 117295105) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol
PubChem CID117295105
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2c(c1)COCC2
InChIInChI=1S/C13H18O2/c1-13(2,9-14)12-4-3-10-5-6-15-8-11(10)7-12/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeyHVDATRHUXQISIB-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine
CID 82604168
2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol
CID 117294166
7-bromo-3,4-dihydro-1H-isochromene
CID 10560525
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylpropane-1-thiol
CID 163562027
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
2-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-ol
CID 117313410
1-(3,4-dihydro-1H-isochromen-6-yl)-2-methylpropan-2-amine
CID 82609980
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol
CID 117292707
N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
CID 59487278
1-(3,4-dihydro-1H-isochromen-7-yl)ethanamine
CID 82599521

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol (CID 117295105) is 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc2c(c1)COCC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol?
The InChIKey is HVDATRHUXQISIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,9-14)12-4-3-10-5-6-15-8-11(10)7-12/h3-4,7,14H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol?
2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117295105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).