1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one

C14H16O2 — CID 132600226

IUPAC1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
SMILESCOc1cccc2c1CCC=C2CC(C)=O
InChIInChI=1S/C14H16O2/c1-10(15)9-11-5-3-7-13-12(11)6-4-8-14(13)16-2/h4-6,8H,3,7,9H2,1-2H3
InChIKeySJJZXZCPRHOFHG-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.00
Rot. Bonds3

About 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one

1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one (PubChem CID 132600226) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
PubChem CID132600226
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
SMILESCOc1cccc2c1CCC=C2CC(C)=O
InChIInChI=1S/C14H16O2/c1-10(15)9-11-5-3-7-13-12(11)6-4-8-14(13)16-2/h4-6,8H,3,7,9H2,1-2H3
InChIKeySJJZXZCPRHOFHG-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
CID 105497474
2-[[5-(2-methoxyethoxy)-3,4-dihydronaphthalen-1-yl]methyl]propanedioic acid
CID 139978684
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
(5-methoxy-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane
CID 11770788
1-(3-chlorophenyl)-4-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]piperazine
CID 10386085
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
CID 10110882
methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 102446417
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile
CID 70453800
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one (CID 132600226) is 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one is COc1cccc2c1CCC=C2CC(C)=O.
What is the InChIKey of 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one?
The InChIKey is SJJZXZCPRHOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(15)9-11-5-3-7-13-12(11)6-4-8-14(13)16-2/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one?
1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one has a molecular weight of 216.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 132600226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).