1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone

C13H11IO2 — CID 163524039

IUPAC1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(C)=O)ccc2c1I
InChIInChI=1S/C13H11IO2/c1-8(15)9-3-5-11-10(7-9)4-6-12(16-2)13(11)14/h3-7H,1-2H3
InChIKeyDNFAHXPERVMENY-UHFFFAOYSA-N
MW326.13 g/mol
LogP3.66
Rot. Bonds2

About 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone

1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone (PubChem CID 163524039) has the molecular formula C13H11IO2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone
PubChem CID163524039
Molecular FormulaC13H11IO2
Molecular Weight326.13 g/mol
Exact Mass325.98
IUPAC Name1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(C)=O)ccc2c1I
InChIInChI=1S/C13H11IO2/c1-8(15)9-3-5-11-10(7-9)4-6-12(16-2)13(11)14/h3-7H,1-2H3
InChIKeyDNFAHXPERVMENY-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
[6-methoxy-5-[2-methoxy-6-(4-methoxybenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 11204032
5-acetamido-6-methoxynaphthalene-2-carboxylic acid
CID 167738433
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
(Z)-4-(5-bromo-6-methoxynaphthalen-2-yl)-4-hydroxybut-3-en-2-one
CID 18462437
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone (CID 163524039) is 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone is COc1ccc2cc(C(C)=O)ccc2c1I.
What is the InChIKey of 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone?
The InChIKey is DNFAHXPERVMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2/c1-8(15)9-3-5-11-10(7-9)4-6-12(16-2)13(11)14/h3-7H,1-2H3.
What are the key properties of 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone?
1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone has a molecular weight of 326.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-6-methoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 163524039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).