6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol

C16H24O2 — CID 64514645

IUPAC6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCC1OCCc2ccccc21
InChIInChI=1S/C16H24O2/c1-12(2)15(17)8-5-9-16-14-7-4-3-6-13(14)10-11-18-16/h3-4,6-7,12,15-17H,5,8-11H2,1-2H3
InChIKeyCQHVBWFZASEGAA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.49
Rot. Bonds5

About 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol

6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol (PubChem CID 64514645) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol
PubChem CID64514645
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCC1OCCc2ccccc21
InChIInChI=1S/C16H24O2/c1-12(2)15(17)8-5-9-16-14-7-4-3-6-13(14)10-11-18-16/h3-4,6-7,12,15-17H,5,8-11H2,1-2H3
InChIKeyCQHVBWFZASEGAA-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
4-(3,4-dihydro-1H-isochromen-1-yl)-2-methyl-N-propylbutan-1-amine
CID 64664343
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
1-(3,4-dihydro-1H-isochromen-1-yl)-3,4-dimethylpentan-2-one
CID 114977062
N-tert-butyl-4-(3,4-dihydro-1H-isochromen-1-yl)-2-methylbutan-1-amine
CID 64665007
3-(3,4-dihydro-1H-isochromen-1-yl)propanoic acid
CID 23288809
2-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)propan-1-ol
CID 115659702
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethoxybutan-2-ol
CID 114983995
2-(3,4-dihydro-1H-isochromen-1-yl)ethylhydrazine
CID 114984667
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(oxolan-2-yl)ethanol
CID 65331476

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol?
The IUPAC name of 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol (CID 64514645) is 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol.
What is the SMILES notation for 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol?
The canonical SMILES for 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol is CC(C)C(O)CCCC1OCCc2ccccc21.
What is the InChIKey of 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol?
The InChIKey is CQHVBWFZASEGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)15(17)8-5-9-16-14-7-4-3-6-13(14)10-11-18-16/h3-4,6-7,12,15-17H,5,8-11H2,1-2H3.
What are the key properties of 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol?
6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol has a molecular weight of 248.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isochromen-1-yl)-2-methylhexan-3-ol is sourced from PubChem (CID 64514645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).