4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one

C17H16O3 — CID 13408691

IUPAC4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
SMILESCOc1ccc(C2(O)CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C17H16O3/c1-20-13-8-6-12(7-9-13)17(19)11-10-16(18)14-4-2-3-5-15(14)17/h2-9,19H,10-11H2,1H3
InChIKeyFXQHMVSYDKTZRJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.91
Rot. Bonds2

About 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one

4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one (PubChem CID 13408691) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
PubChem CID13408691
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
SMILESCOc1ccc(C2(O)CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C17H16O3/c1-20-13-8-6-12(7-9-13)17(19)11-10-16(18)14-4-2-3-5-15(14)17/h2-9,19H,10-11H2,1H3
InChIKeyFXQHMVSYDKTZRJ-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one?
The IUPAC name of 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one (CID 13408691) is 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one is COc1ccc(C2(O)CCC(=O)c3ccccc32)cc1.
What is the InChIKey of 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one?
The InChIKey is FXQHMVSYDKTZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-20-13-8-6-12(7-9-13)17(19)11-10-16(18)14-4-2-3-5-15(14)17/h2-9,19H,10-11H2,1H3.
What are the key properties of 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one?
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one has a molecular weight of 268.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 13408691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).