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

C18H19FO2 — CID 105131266

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)C1OCCc2ccccc21
InChIInChI=1S/C18H19FO2/c1-12-10-15(19)7-6-14(12)11-17(20)18-16-5-3-2-4-13(16)8-9-21-18/h2-7,10,17-18,20H,8-9,11H2,1H3
InChIKeyGTGOOURSYZGMEZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.35
Rot. Bonds3

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

1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 105131266) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID105131266
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)C1OCCc2ccccc21
InChIInChI=1S/C18H19FO2/c1-12-10-15(19)7-6-14(12)11-17(20)18-16-5-3-2-4-13(16)8-9-21-18/h2-7,10,17-18,20H,8-9,11H2,1H3
InChIKeyGTGOOURSYZGMEZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
CID 105120750
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 114347478
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 65410003
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373456
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 107515266
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284785
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154979

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol (CID 105131266) is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1CC(O)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is GTGOOURSYZGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12-10-15(19)7-6-14(12)11-17(20)18-16-5-3-2-4-13(16)8-9-21-18/h2-7,10,17-18,20H,8-9,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 286.35 g/mol, XLogP of 3.35, 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-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105131266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).