6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C17H16O3 — CID 11623142

IUPAC6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1Cc1ccc(O)cc1
InChIInChI=1S/C17H16O3/c18-14-5-1-11(2-6-14)9-13-4-3-12-10-15(19)7-8-16(12)17(13)20/h1-2,5-8,10,13,18-19H,3-4,9H2
InChIKeyFEUVSYIDCDSZQO-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.09
Rot. Bonds2

About 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11623142) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11623142
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1Cc1ccc(O)cc1
InChIInChI=1S/C17H16O3/c18-14-5-1-11(2-6-14)9-13-4-3-12-10-15(19)7-8-16(12)17(13)20/h1-2,5-8,10,13,18-19H,3-4,9H2
InChIKeyFEUVSYIDCDSZQO-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 11623142) is 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(O)cc2CCC1Cc1ccc(O)cc1.
What is the InChIKey of 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FEUVSYIDCDSZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-14-5-1-11(2-6-14)9-13-4-3-12-10-15(19)7-8-16(12)17(13)20/h1-2,5-8,10,13,18-19H,3-4,9H2.
What are the key properties of 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11623142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).