1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone

C15H16O2 — CID 125472648

IUPAC1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone
SMILESCCCc1c(O)ccc2cc(C(C)=O)ccc12
InChIInChI=1S/C15H16O2/c1-3-4-14-13-7-5-11(10(2)16)9-12(13)6-8-15(14)17/h5-9,17H,3-4H2,1-2H3
InChIKeyULOOXJKJIMDFHD-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.70
Rot. Bonds3

About 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone

1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone (PubChem CID 125472648) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone
PubChem CID125472648
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone
SMILESCCCc1c(O)ccc2cc(C(C)=O)ccc12
InChIInChI=1S/C15H16O2/c1-3-4-14-13-7-5-11(10(2)16)9-12(13)6-8-15(14)17/h5-9,17H,3-4H2,1-2H3
InChIKeyULOOXJKJIMDFHD-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
ethane;ethene;methyl 5-ethyl-6-hydroxynaphthalene-2-carboxylate
CID 144537002
1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
CID 18388441
1-[6-(dimethylamino)-5-propylnaphthalen-2-yl]propan-1-one
CID 66779326
(6-acetyl-2-sulfanylnaphthalen-1-yl) acetate
CID 54237653
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-[5-[6-acetyl-2-(3-hydroxypropyl)naphthalen-1-yl]-6-(3-hydroxypropyl)naphthalen-2-yl]ethanone
CID 175243896
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
CID 126763631
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
1-[4-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone
CID 2470381
6-methyl-5-propylnaphthalen-2-ol
CID 144690902

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone (CID 125472648) is 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone is CCCc1c(O)ccc2cc(C(C)=O)ccc12.
What is the InChIKey of 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone?
The InChIKey is ULOOXJKJIMDFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-4-14-13-7-5-11(10(2)16)9-12(13)6-8-15(14)17/h5-9,17H,3-4H2,1-2H3.
What are the key properties of 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone?
1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 125472648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).