2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol

C18H21NO2 — CID 114982671

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
SMILESCc1cnc(C(O)CC2OCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO2/c1-12-9-13(2)18(19-11-12)16(20)10-17-15-6-4-3-5-14(15)7-8-21-17/h3-6,9,11,16-17,20H,7-8,10H2,1-2H3
InChIKeyWDQPZLHQKPVPCH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.44
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol (PubChem CID 114982671) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
PubChem CID114982671
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
SMILESCc1cnc(C(O)CC2OCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO2/c1-12-9-13(2)18(19-11-12)16(20)10-17-15-6-4-3-5-14(15)7-8-21-17/h3-6,9,11,16-17,20H,7-8,10H2,1-2H3
InChIKeyWDQPZLHQKPVPCH-UHFFFAOYSA-N
XLogP3.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol (CID 114982671) is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol is Cc1cnc(C(O)CC2OCCc3ccccc32)c(C)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
The InChIKey is WDQPZLHQKPVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-9-13(2)18(19-11-12)16(20)10-17-15-6-4-3-5-14(15)7-8-21-17/h3-6,9,11,16-17,20H,7-8,10H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol has a molecular weight of 283.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3,5-dimethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114982671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).