(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol

C17H16F2O2 — CID 107516255

IUPAC(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESCc1ccc(C(O)C2OCCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H16F2O2/c1-10-6-7-13(15(19)14(10)18)16(20)17-12-5-3-2-4-11(12)8-9-21-17/h2-7,16-17,20H,8-9H2,1H3
InChIKeySKGUMDFWADUNGS-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.62
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol

(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol (PubChem CID 107516255) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
PubChem CID107516255
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESCc1ccc(C(O)C2OCCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H16F2O2/c1-10-6-7-13(15(19)14(10)18)16(20)17-12-5-3-2-4-11(12)8-9-21-17/h2-7,16-17,20H,8-9H2,1H3
InChIKeySKGUMDFWADUNGS-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 107515266
(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
CID 107512914
3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154979
(3-bromo-2,6-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 106945182
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131266
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
CID 105120750
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 105120022
[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292632
3,4-dihydro-1H-isochromen-1-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397447

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol (CID 107516255) is (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol is Cc1ccc(C(O)C2OCCc3ccccc32)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The InChIKey is SKGUMDFWADUNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10-6-7-13(15(19)14(10)18)16(20)17-12-5-3-2-4-11(12)8-9-21-17/h2-7,16-17,20H,8-9H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol has a molecular weight of 290.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol is sourced from PubChem (CID 107516255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).