3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol

C16H18O2S — CID 55225890

IUPAC3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2CCOc3ccccc32)c(C)s1
InChIInChI=1S/C16H18O2S/c1-10-9-14(11(2)19-10)16(17)13-7-8-18-15-6-4-3-5-12(13)15/h3-6,9,13,16-17H,7-8H2,1-2H3
InChIKeyWFKJKVWKLRTBOD-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.96
Rot. Bonds2

About 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol

3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 55225890) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID55225890
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2CCOc3ccccc32)c(C)s1
InChIInChI=1S/C16H18O2S/c1-10-9-14(11(2)19-10)16(17)13-7-8-18-15-6-4-3-5-12(13)15/h3-6,9,13,16-17H,7-8H2,1-2H3
InChIKeyWFKJKVWKLRTBOD-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 79990942
4-[chloro-(3,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 81158637
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709562
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
4-[chloro-(2,5-dibromothiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 55226474
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
methyl 5-[3,4-dihydro-2H-chromen-4-yl(hydroxy)methyl]furan-2-carboxylate
CID 106947127

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol (CID 55225890) is 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)C2CCOc3ccccc32)c(C)s1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is WFKJKVWKLRTBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-10-9-14(11(2)19-10)16(17)13-7-8-18-15-6-4-3-5-12(13)15/h3-6,9,13,16-17H,7-8H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol?
3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 274.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 55225890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).