1-(6-methoxynaphthalen-2-yl)butane-2,3-diol

C15H18O3 — CID 20502766

IUPAC1-(6-methoxynaphthalen-2-yl)butane-2,3-diol
SMILESCOc1ccc2cc(CC(O)C(C)O)ccc2c1
InChIInChI=1S/C15H18O3/c1-10(16)15(17)8-11-3-4-13-9-14(18-2)6-5-12(13)7-11/h3-7,9-10,15-17H,8H2,1-2H3
InChIKeyMCZLAGYGEYMZAQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.13
Rot. Bonds4

About 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol

1-(6-methoxynaphthalen-2-yl)butane-2,3-diol (PubChem CID 20502766) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)butane-2,3-diol
PubChem CID20502766
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-(6-methoxynaphthalen-2-yl)butane-2,3-diol
SMILESCOc1ccc2cc(CC(O)C(C)O)ccc2c1
InChIInChI=1S/C15H18O3/c1-10(16)15(17)8-11-3-4-13-9-14(18-2)6-5-12(13)7-11/h3-7,9-10,15-17H,8H2,1-2H3
InChIKeyMCZLAGYGEYMZAQ-UHFFFAOYSA-N
XLogP2.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol (CID 20502766) is 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol is COc1ccc2cc(CC(O)C(C)O)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol?
The InChIKey is MCZLAGYGEYMZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10(16)15(17)8-11-3-4-13-9-14(18-2)6-5-12(13)7-11/h3-7,9-10,15-17H,8H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol?
1-(6-methoxynaphthalen-2-yl)butane-2,3-diol has a molecular weight of 246.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)butane-2,3-diol is sourced from PubChem (CID 20502766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).