1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone

C16H18O3 — CID 90676491

IUPAC1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone
SMILESCCCOc1cccc2cc(C)c(C(C)=O)c(O)c12
InChIInChI=1S/C16H18O3/c1-4-8-19-13-7-5-6-12-9-10(2)14(11(3)17)16(18)15(12)13/h5-7,9,18H,4,8H2,1-3H3
InChIKeyXHLXWBWXOWBYOD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.85
Rot. Bonds4

About 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone

1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone (PubChem CID 90676491) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone
PubChem CID90676491
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone
SMILESCCCOc1cccc2cc(C)c(C(C)=O)c(O)c12
InChIInChI=1S/C16H18O3/c1-4-8-19-13-7-5-6-12-9-10(2)14(11(3)17)16(18)15(12)13/h5-7,9,18H,4,8H2,1-3H3
InChIKeyXHLXWBWXOWBYOD-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dipropoxybenzoyl iodide
CID 19912030
1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone
CID 113388904
2-[4-(1,3-dioxo-4,9-dipropoxybenzo[e]isoindol-2-yl)-3-methylphenyl]acetic acid
CID 68859568
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene
CID 143586421
1-propoxybenzo[a]anthracene
CID 172691027
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
2-[2-(2-hydroxy-3-methylphenoxy)ethoxy]-6-methylphenol
CID 174709972
1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone
CID 14235945
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone (CID 90676491) is 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone is CCCOc1cccc2cc(C)c(C(C)=O)c(O)c12.
What is the InChIKey of 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone?
The InChIKey is XHLXWBWXOWBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-8-19-13-7-5-6-12-9-10(2)14(11(3)17)16(18)15(12)13/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone?
1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methyl-8-propoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 90676491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).