1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol

C19H22O2 — CID 105120750

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1cccc(C)c1CC(O)C1OCCc2ccccc21
InChIInChI=1S/C19H22O2/c1-13-6-5-7-14(2)17(13)12-18(20)19-16-9-4-3-8-15(16)10-11-21-19/h3-9,18-20H,10-12H2,1-2H3
InChIKeyAZNQHRWHIDLXPB-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.52
Rot. Bonds3

About 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol

1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol (PubChem CID 105120750) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
PubChem CID105120750
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1cccc(C)c1CC(O)C1OCCc2ccccc21
InChIInChI=1S/C19H22O2/c1-13-6-5-7-14(2)17(13)12-18(20)19-16-9-4-3-8-15(16)10-11-21-19/h3-9,18-20H,10-12H2,1-2H3
InChIKeyAZNQHRWHIDLXPB-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131266
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154979
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 107515266
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105100583

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol (CID 105120750) is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol is Cc1cccc(C)c1CC(O)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol?
The InChIKey is AZNQHRWHIDLXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-6-5-7-14(2)17(13)12-18(20)19-16-9-4-3-8-15(16)10-11-21-19/h3-9,18-20H,10-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol?
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol has a molecular weight of 282.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 105120750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).