1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one

C18H26O2 — CID 115798863

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
SMILESCCCCCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-9-16(19)14-15-12-13-20-18-11-8-7-10-17(15)18/h7-8,10-11,15H,2-6,9,12-14H2,1H3
InChIKeyYNTVUCGXPFISDG-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.87
Rot. Bonds8

About 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one

1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one (PubChem CID 115798863) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
PubChem CID115798863
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
SMILESCCCCCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-9-16(19)14-15-12-13-20-18-11-8-7-10-17(15)18/h7-8,10-11,15H,2-6,9,12-14H2,1H3
InChIKeyYNTVUCGXPFISDG-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydrocoumarin
CID 660
Chromanone
CID 68110
L-152,804
CID 3765615
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CID 3791643
3,4-Dihydro-6-methylcoumarin
CID 66708
3-methyl-3,4-dihydro-2H-1-benzopyran-4-one
CID 11073737
p-Benzyloxypropiophenone
CID 78246
1,2-Bis(4-ethoxyphenyl)ethane-1,2-dione
CID 4369935
2,3-dihydro-3-phenyl-4H-1-benzopyran-4-one
CID 160767
9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
CID 624746
3-(4-Ethoxyphenyl)-6-propylcyclohex-2-en-1-one
CID 2841181
3-benzyl-3,4-dihydro-2H-chromene
CID 15331838

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one (CID 115798863) is 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one is CCCCCCCC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one?
The InChIKey is YNTVUCGXPFISDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-9-16(19)14-15-12-13-20-18-11-8-7-10-17(15)18/h7-8,10-11,15H,2-6,9,12-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one has a molecular weight of 274.40 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one is sourced from PubChem (CID 115798863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).