7-hydroxy-3-(3-methylphenyl)isochromen-1-one

C16H12O3 — CID 118395492

IUPAC7-hydroxy-3-(3-methylphenyl)isochromen-1-one
SMILESCc1cccc(-c2cc3ccc(O)cc3c(=O)o2)c1
InChIInChI=1S/C16H12O3/c1-10-3-2-4-12(7-10)15-8-11-5-6-13(17)9-14(11)16(18)19-15/h2-9,17H,1H3
InChIKeyXKAAASZSYULZGN-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds1

About 7-hydroxy-3-(3-methylphenyl)isochromen-1-one

7-hydroxy-3-(3-methylphenyl)isochromen-1-one (PubChem CID 118395492) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-hydroxy-3-(3-methylphenyl)isochromen-1-one.

Molecular Properties

Compound Name7-hydroxy-3-(3-methylphenyl)isochromen-1-one
PubChem CID118395492
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name7-hydroxy-3-(3-methylphenyl)isochromen-1-one
SMILESCc1cccc(-c2cc3ccc(O)cc3c(=O)o2)c1
InChIInChI=1S/C16H12O3/c1-10-3-2-4-12(7-10)15-8-11-5-6-13(17)9-14(11)16(18)19-15/h2-9,17H,1H3
InChIKeyXKAAASZSYULZGN-UHFFFAOYSA-N
XLogP3.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(3-methylphenyl)isochromen-1-one?
The IUPAC name of 7-hydroxy-3-(3-methylphenyl)isochromen-1-one (CID 118395492) is 7-hydroxy-3-(3-methylphenyl)isochromen-1-one.
What is the SMILES notation for 7-hydroxy-3-(3-methylphenyl)isochromen-1-one?
The canonical SMILES for 7-hydroxy-3-(3-methylphenyl)isochromen-1-one is Cc1cccc(-c2cc3ccc(O)cc3c(=O)o2)c1.
What is the InChIKey of 7-hydroxy-3-(3-methylphenyl)isochromen-1-one?
The InChIKey is XKAAASZSYULZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-3-2-4-12(7-10)15-8-11-5-6-13(17)9-14(11)16(18)19-15/h2-9,17H,1H3.
What are the key properties of 7-hydroxy-3-(3-methylphenyl)isochromen-1-one?
7-hydroxy-3-(3-methylphenyl)isochromen-1-one has a molecular weight of 252.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(3-methylphenyl)isochromen-1-one is sourced from PubChem (CID 118395492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).