3-methoxy-4-phenylisochromen-1-one

C16H12O3 — CID 138981876

IUPAC3-methoxy-4-phenylisochromen-1-one
SMILESCOc1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H12O3/c1-18-16-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15(17)19-16/h2-10H,1H3
InChIKeyFZBAAGBDMOSTDO-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds2

About 3-methoxy-4-phenylisochromen-1-one

3-methoxy-4-phenylisochromen-1-one (PubChem CID 138981876) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methoxy-4-phenylisochromen-1-one.

Molecular Properties

Compound Name3-methoxy-4-phenylisochromen-1-one
PubChem CID138981876
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-methoxy-4-phenylisochromen-1-one
SMILESCOc1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H12O3/c1-18-16-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15(17)19-16/h2-10H,1H3
InChIKeyFZBAAGBDMOSTDO-UHFFFAOYSA-N
XLogP3.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylisochromen-1-one?
The IUPAC name of 3-methoxy-4-phenylisochromen-1-one (CID 138981876) is 3-methoxy-4-phenylisochromen-1-one.
What is the SMILES notation for 3-methoxy-4-phenylisochromen-1-one?
The canonical SMILES for 3-methoxy-4-phenylisochromen-1-one is COc1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylisochromen-1-one?
The InChIKey is FZBAAGBDMOSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-16-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15(17)19-16/h2-10H,1H3.
What are the key properties of 3-methoxy-4-phenylisochromen-1-one?
3-methoxy-4-phenylisochromen-1-one has a molecular weight of 252.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylisochromen-1-one is sourced from PubChem (CID 138981876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).