1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone

C15H22O4 — CID 154173318

IUPAC1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone
SMILESCOC1CCC(OC)C2=C1C=C(C)C(O)(C(C)=O)C2
InChIInChI=1S/C15H22O4/c1-9-7-11-12(8-15(9,17)10(2)16)14(19-4)6-5-13(11)18-3/h7,13-14,17H,5-6,8H2,1-4H3
InChIKeyQRNWJGMROIMKAB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds3

About 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone

1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone (PubChem CID 154173318) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone
PubChem CID154173318
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone
SMILESCOC1CCC(OC)C2=C1C=C(C)C(O)(C(C)=O)C2
InChIInChI=1S/C15H22O4/c1-9-7-11-12(8-15(9,17)10(2)16)14(19-4)6-5-13(11)18-3/h7,13-14,17H,5-6,8H2,1-4H3
InChIKeyQRNWJGMROIMKAB-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone (CID 154173318) is 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone is COC1CCC(OC)C2=C1C=C(C)C(O)(C(C)=O)C2.
What is the InChIKey of 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone?
The InChIKey is QRNWJGMROIMKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-9-7-11-12(8-15(9,17)10(2)16)14(19-4)6-5-13(11)18-3/h7,13-14,17H,5-6,8H2,1-4H3.
What are the key properties of 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone?
1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5,8-dimethoxy-3-methyl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone is sourced from PubChem (CID 154173318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).