5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol

C16H16O3 — CID 15110282

IUPAC5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol
SMILESCOc1ccc(C2Cc3ccccc3CO2)cc1O
InChIInChI=1S/C16H16O3/c1-18-15-7-6-12(8-14(15)17)16-9-11-4-2-3-5-13(11)10-19-16/h2-8,16-17H,9-10H2,1H3
InChIKeyPDEZCWAZIMTOTA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.21
Rot. Bonds2

About 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol

5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol (PubChem CID 15110282) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol
PubChem CID15110282
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol
SMILESCOc1ccc(C2Cc3ccccc3CO2)cc1O
InChIInChI=1S/C16H16O3/c1-18-15-7-6-12(8-14(15)17)16-9-11-4-2-3-5-13(11)10-19-16/h2-8,16-17H,9-10H2,1H3
InChIKeyPDEZCWAZIMTOTA-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol?
The IUPAC name of 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol (CID 15110282) is 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol?
The canonical SMILES for 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol is COc1ccc(C2Cc3ccccc3CO2)cc1O.
What is the InChIKey of 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol?
The InChIKey is PDEZCWAZIMTOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-7-6-12(8-14(15)17)16-9-11-4-2-3-5-13(11)10-19-16/h2-8,16-17H,9-10H2,1H3.
What are the key properties of 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol?
5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol has a molecular weight of 256.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isochromen-3-yl)-2-methoxyphenol is sourced from PubChem (CID 15110282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).