3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol

C18H19FO2 — CID 106881075

IUPAC3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2COc3ccccc3C2)c(F)c1
InChIInChI=1S/C18H19FO2/c1-11-7-12(2)17(15(19)8-11)18(20)14-9-13-5-3-4-6-16(13)21-10-14/h3-8,14,18,20H,9-10H2,1-2H3
InChIKeyYGXHXQGUMVPOQU-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.73
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol

3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol (PubChem CID 106881075) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
PubChem CID106881075
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2COc3ccccc3C2)c(F)c1
InChIInChI=1S/C18H19FO2/c1-11-7-12(2)17(15(19)8-11)18(20)14-9-13-5-3-4-6-16(13)21-10-14/h3-8,14,18,20H,9-10H2,1-2H3
InChIKeyYGXHXQGUMVPOQU-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65411549
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 105405677
2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881223
1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 65409515
5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106947406
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667
[(2,6-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233931
3,4-dihydro-2H-chromen-3-yl(pyridin-3-yl)methanol
CID 65412130

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol (CID 106881075) is 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol is Cc1cc(C)c(C(O)C2COc3ccccc3C2)c(F)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol?
The InChIKey is YGXHXQGUMVPOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-11-7-12(2)17(15(19)8-11)18(20)14-9-13-5-3-4-6-16(13)21-10-14/h3-8,14,18,20H,9-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol?
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol has a molecular weight of 286.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106881075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).