1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one

C19H24O2 — CID 146007288

IUPAC1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C19H24O2/c1-4-8-15(9-5-2)19(20)18-16-11-7-6-10-14(16)12-13-17(18)21-3/h6-7,10-13,15H,4-5,8-9H2,1-3H3
InChIKeyCNXSUAPHKWRUIW-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.25
Rot. Bonds7

About 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one

1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one (PubChem CID 146007288) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one
PubChem CID146007288
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C19H24O2/c1-4-8-15(9-5-2)19(20)18-16-11-7-6-10-14(16)12-13-17(18)21-3/h6-7,10-13,15H,4-5,8-9H2,1-3H3
InChIKeyCNXSUAPHKWRUIW-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
CID 146007256
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
4-chloro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 82051001
methyl (E)-4-(2-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550402
methyl 2-tridecan-2-yloxynaphthalene-1-carboxylate
CID 118870402
2-methoxy-1-propan-2-ylsulfanylnaphthalene
CID 170412845
2-(aminomethyl)-1-(2-methoxynaphthalen-1-yl)pentan-1-ol
CID 79415266
(1-bromonaphthalen-2-yl) 2-(2-methoxyphenoxy)acetate
CID 7918561

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one (CID 146007288) is 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1c(OC)ccc2ccccc12.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one?
The InChIKey is CNXSUAPHKWRUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-8-15(9-5-2)19(20)18-16-11-7-6-10-14(16)12-13-17(18)21-3/h6-7,10-13,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one?
1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one has a molecular weight of 284.40 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one is sourced from PubChem (CID 146007288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).