1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone

C15H12O2 — CID 167078284

IUPAC1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
SMILESC#CCOc1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C15H12O2/c1-3-8-17-15-10-13-7-5-4-6-12(13)9-14(15)11(2)16/h1,4-7,9-10H,8H2,2H3
InChIKeyZURXDGZMNJRPKN-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.05
Rot. Bonds3

About 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone

1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone (PubChem CID 167078284) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
PubChem CID167078284
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
SMILESC#CCOc1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C15H12O2/c1-3-8-17-15-10-13-7-5-4-6-12(13)9-14(15)11(2)16/h1,4-7,9-10H,8H2,2H3
InChIKeyZURXDGZMNJRPKN-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-prop-2-ynoxynaphthalene
CID 167077991
1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
6,7-bis(prop-2-ynoxy)naphthalene-1-carboxylic acid
CID 71368788
3-[2-oxo-2-(prop-2-ynylamino)ethoxy]naphthalene-2-carboxylic acid
CID 24698009
1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone
CID 87179083
2,3-bis(prop-2-ynoxy)naphthalen-1-ol
CID 155666633
5-methoxy-2-prop-2-ynoxybenzamide
CID 75485081
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
(E)-4-(2-prop-2-ynoxyphenyl)but-3-en-2-one
CID 15419007
3-(2-methylbutoxy)naphthalene-2-carboxylic acid
CID 62104724
1-[3-[(4-methylphenoxy)methyl]naphthalen-2-yl]ethanone
CID 53343990

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone (CID 167078284) is 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone is C#CCOc1cc2ccccc2cc1C(C)=O.
What is the InChIKey of 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone?
The InChIKey is ZURXDGZMNJRPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-3-8-17-15-10-13-7-5-4-6-12(13)9-14(15)11(2)16/h1,4-7,9-10H,8H2,2H3.
What are the key properties of 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone?
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 167078284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).