1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone

C14H14O4 — CID 5321977

IUPAC1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
SMILESCOc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1
InChIInChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3
InChIKeyBIJOPUWEMBBDEG-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.77
Rot. Bonds2

About 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone

1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone (PubChem CID 5321977) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
PubChem CID5321977
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
SMILESCOc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1
InChIInChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3
InChIKeyBIJOPUWEMBBDEG-UHFFFAOYSA-N
XLogP2.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone (CID 5321977) is 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone is COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1.
What is the InChIKey of 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone?
The InChIKey is BIJOPUWEMBBDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3.
What are the key properties of 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone?
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone has a molecular weight of 246.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 5321977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).