6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol

C15H20O3 — CID 10824457

IUPAC6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol
SMILESCOc1ccc2c(c1)C=CC(O)(C(C)C)C2(C)O
InChIInChI=1S/C15H20O3/c1-10(2)15(17)8-7-11-9-12(18-4)5-6-13(11)14(15,3)16/h5-10,16-17H,1-4H3
InChIKeyPFACZYXHYXDDBD-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.32
Rot. Bonds2

About 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol

6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol (PubChem CID 10824457) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol
PubChem CID10824457
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol
SMILESCOc1ccc2c(c1)C=CC(O)(C(C)C)C2(C)O
InChIInChI=1S/C15H20O3/c1-10(2)15(17)8-7-11-9-12(18-4)5-6-13(11)14(15,3)16/h5-10,16-17H,1-4H3
InChIKeyPFACZYXHYXDDBD-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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6-methoxy-3,3-dimethyl-1,2-dihydroindene
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CID 71528122
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CID 22382274
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol?
The IUPAC name of 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol (CID 10824457) is 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol.
What is the SMILES notation for 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol?
The canonical SMILES for 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol is COc1ccc2c(c1)C=CC(O)(C(C)C)C2(C)O.
What is the InChIKey of 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol?
The InChIKey is PFACZYXHYXDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)15(17)8-7-11-9-12(18-4)5-6-13(11)14(15,3)16/h5-10,16-17H,1-4H3.
What are the key properties of 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol?
6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol has a molecular weight of 248.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2-propan-2-ylnaphthalene-1,2-diol is sourced from PubChem (CID 10824457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).