1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one

C16H18O3 — CID 3031026

IUPAC1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(C)O)c2ccccc12
InChIInChI=1S/C16H18O3/c1-3-15(18)13-8-9-16(19-10-11(2)17)14-7-5-4-6-12(13)14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyROVQDOWBWWCKIE-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one

1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one (PubChem CID 3031026) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
PubChem CID3031026
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(C)O)c2ccccc12
InChIInChI=1S/C16H18O3/c1-3-15(18)13-8-9-16(19-10-11(2)17)14-7-5-4-6-12(13)14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyROVQDOWBWWCKIE-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
CID 154198459
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one
CID 15650188
4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
1-[4-(propan-2-ylsulfamoylamino)naphthalen-1-yl]oxypropan-2-ol
CID 175193230
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638
[(E)-[2-[4-(2-hydroxypropoxy)naphthalen-1-yl]-2-oxo-1-phenylethylidene]amino] 4-methylbenzenesulfonate
CID 164755718
1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
CID 70257294
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
3-chloro-1-(4-propan-2-yloxynaphthalen-1-yl)propan-1-one
CID 82263210

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one (CID 3031026) is 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one is CCC(=O)c1ccc(OCC(C)O)c2ccccc12.
What is the InChIKey of 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one?
The InChIKey is ROVQDOWBWWCKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-15(18)13-8-9-16(19-10-11(2)17)14-7-5-4-6-12(13)14/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one?
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one is sourced from PubChem (CID 3031026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).