(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol

C10H12O3 — CID 102351803

IUPAC(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol
SMILESCOC1OC[C@@H](O)c2ccccc21
InChIInChI=1S/C10H12O3/c1-12-10-8-5-3-2-4-7(8)9(11)6-13-10/h2-5,9-11H,6H2,1H3/t9-,10?/m1/s1
InChIKeyWNPXVIKVTQCHSI-YHMJZVADSA-N
MW180.20 g/mol
LogP1.40
Rot. Bonds1

About (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol

(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol (PubChem CID 102351803) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol.

Molecular Properties

Compound Name(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol
PubChem CID102351803
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol
SMILESCOC1OC[C@@H](O)c2ccccc21
InChIInChI=1S/C10H12O3/c1-12-10-8-5-3-2-4-7(8)9(11)6-13-10/h2-5,9-11H,6H2,1H3/t9-,10?/m1/s1
InChIKeyWNPXVIKVTQCHSI-YHMJZVADSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.40
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 (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol?
The IUPAC name of (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol (CID 102351803) is (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol.
What is the SMILES notation for (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol?
The canonical SMILES for (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol is COC1OC[C@@H](O)c2ccccc21.
What is the InChIKey of (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol?
The InChIKey is WNPXVIKVTQCHSI-YHMJZVADSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-10-8-5-3-2-4-7(8)9(11)6-13-10/h2-5,9-11H,6H2,1H3/t9-,10?/m1/s1.
What are the key properties of (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol?
(4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol has a molecular weight of 180.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methoxy-3,4-dihydro-1H-isochromen-4-ol is sourced from PubChem (CID 102351803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).