1-(4-methoxynaphthalen-1-yl)propan-2-one

C14H14O2 — CID 70461266

IUPAC1-(4-methoxynaphthalen-1-yl)propan-2-one
SMILESCOc1ccc(CC(C)=O)c2ccccc12
InChIInChI=1S/C14H14O2/c1-10(15)9-11-7-8-14(16-2)13-6-4-3-5-12(11)13/h3-8H,9H2,1-2H3
InChIKeyRZEJLTGNNNLYTL-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-methoxynaphthalen-1-yl)propan-2-one

1-(4-methoxynaphthalen-1-yl)propan-2-one (PubChem CID 70461266) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)propan-2-one
PubChem CID70461266
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-(4-methoxynaphthalen-1-yl)propan-2-one
SMILESCOc1ccc(CC(C)=O)c2ccccc12
InChIInChI=1S/C14H14O2/c1-10(15)9-11-7-8-14(16-2)13-6-4-3-5-12(11)13/h3-8H,9H2,1-2H3
InChIKeyRZEJLTGNNNLYTL-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone
CID 118940116
1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
CID 117349006
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-(hydroxymethyl)-2-[(4-methoxynaphthalen-1-yl)methylamino]propane-1,3-diol
CID 107850406
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
(4-methoxynaphthalen-1-yl) 2-methylpropanoate
CID 142734241
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
CID 143922895

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)propan-2-one (CID 70461266) is 1-(4-methoxynaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)propan-2-one is COc1ccc(CC(C)=O)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)propan-2-one?
The InChIKey is RZEJLTGNNNLYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10(15)9-11-7-8-14(16-2)13-6-4-3-5-12(11)13/h3-8H,9H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)propan-2-one?
1-(4-methoxynaphthalen-1-yl)propan-2-one has a molecular weight of 214.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 70461266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).