2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol

C20H22O3 — CID 75307594

IUPAC2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol
SMILESCOCC(O)C1OCc2ccccc2C1C=Cc1ccccc1
InChIInChI=1S/C20H22O3/c1-22-14-19(21)20-18(12-11-15-7-3-2-4-8-15)17-10-6-5-9-16(17)13-23-20/h2-12,18-21H,13-14H2,1H3
InChIKeyZNXMMQIWLUMITM-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.39
Rot. Bonds5

About 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol

2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol (PubChem CID 75307594) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol.

Molecular Properties

Compound Name2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol
PubChem CID75307594
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol
SMILESCOCC(O)C1OCc2ccccc2C1C=Cc1ccccc1
InChIInChI=1S/C20H22O3/c1-22-14-19(21)20-18(12-11-15-7-3-2-4-8-15)17-10-6-5-9-16(17)13-23-20/h2-12,18-21H,13-14H2,1H3
InChIKeyZNXMMQIWLUMITM-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol?
The IUPAC name of 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol (CID 75307594) is 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol.
What is the SMILES notation for 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol?
The canonical SMILES for 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol is COCC(O)C1OCc2ccccc2C1C=Cc1ccccc1.
What is the InChIKey of 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol?
The InChIKey is ZNXMMQIWLUMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-22-14-19(21)20-18(12-11-15-7-3-2-4-8-15)17-10-6-5-9-16(17)13-23-20/h2-12,18-21H,13-14H2,1H3.
What are the key properties of 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol?
2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol has a molecular weight of 310.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol is sourced from PubChem (CID 75307594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).