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

C16H18O3S — CID 115809602

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)CC1OCCc2ccccc21
InChIInChI=1S/C16H18O3S/c1-18-14-7-9-20-16(14)13(17)10-15-12-5-3-2-4-11(12)6-8-19-15/h2-5,7,9,13,15,17H,6,8,10H2,1H3
InChIKeyRIPRYBGGABAAFX-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.49
Rot. Bonds4

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

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol (PubChem CID 115809602) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol
PubChem CID115809602
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)CC1OCCc2ccccc21
InChIInChI=1S/C16H18O3S/c1-18-14-7-9-20-16(14)13(17)10-15-12-5-3-2-4-11(12)6-8-19-15/h2-5,7,9,13,15,17H,6,8,10H2,1H3
InChIKeyRIPRYBGGABAAFX-UHFFFAOYSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 115809638
1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 114983770
2-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
CID 19889936
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115809555
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-iodophenyl)ethanol
CID 115809682
1-(3,4-dihydro-1H-isochromen-1-yl)-4-ethoxybutan-2-ol
CID 114983995
2-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-ylamino]-1-(4-methoxyphenyl)ethanol
CID 19889941
2-cyclohexyl-1-(3-methoxythiophen-2-yl)ethanol
CID 115786210
3-cyclopropyl-1-(3,4-dihydro-1H-isochromen-1-yl)butan-2-ol
CID 115809715
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 114982671
1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
1-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 115809497

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol (CID 115809602) is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol is COc1ccsc1C(O)CC1OCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The InChIKey is RIPRYBGGABAAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-18-14-7-9-20-16(14)13(17)10-15-12-5-3-2-4-11(12)6-8-19-15/h2-5,7,9,13,15,17H,6,8,10H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol?
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol has a molecular weight of 290.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 115809602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).