1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one

C20H20O3 — CID 67841364

IUPAC1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
SMILESO=C(CCCCCOc1ccc2ccccc2c1)c1ccco1
InChIInChI=1S/C20H20O3/c21-19(20-10-6-14-23-20)9-2-1-5-13-22-18-12-11-16-7-3-4-8-17(16)15-18/h3-4,6-8,10-12,14-15H,1-2,5,9,13H2
InChIKeyJIMBXJJYGNQHTH-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.25
Rot. Bonds8

About 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one

1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one (PubChem CID 67841364) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
PubChem CID67841364
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
SMILESO=C(CCCCCOc1ccc2ccccc2c1)c1ccco1
InChIInChI=1S/C20H20O3/c21-19(20-10-6-14-23-20)9-2-1-5-13-22-18-12-11-16-7-3-4-8-17(16)15-18/h3-4,6-8,10-12,14-15H,1-2,5,9,13H2
InChIKeyJIMBXJJYGNQHTH-UHFFFAOYSA-N
XLogP5.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-naphthalen-2-yloxyheptanoic acid
CID 39371628
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
1-(furan-2-yl)undecan-1-one
CID 15721327
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
furan-2-ylmethyl(6-naphthalen-2-yloxyhexyl)azanium
CID 7949055
N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide
CID 18007930
2-(9-bromononoxy)naphthalene
CID 105343234
2-(3-phenylpropoxy)naphthalene
CID 13432986

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one?
The IUPAC name of 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one (CID 67841364) is 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one?
The canonical SMILES for 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one is O=C(CCCCCOc1ccc2ccccc2c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one?
The InChIKey is JIMBXJJYGNQHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c21-19(20-10-6-14-23-20)9-2-1-5-13-22-18-12-11-16-7-3-4-8-17(16)15-18/h3-4,6-8,10-12,14-15H,1-2,5,9,13H2.
What are the key properties of 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one?
1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one has a molecular weight of 308.38 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one is sourced from PubChem (CID 67841364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).