2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone

C18H18O2 — CID 116543458

IUPAC2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2COc3ccccc32)c1
InChIInChI=1S/C18H18O2/c1-2-6-13-7-5-8-14(11-13)18(19)16-12-20-17-10-4-3-9-15(16)17/h3-5,7-11,16H,2,6,12H2,1H3
InChIKeySFQGGRLEGHXBOA-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.00
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone

2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone (PubChem CID 116543458) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
PubChem CID116543458
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2COc3ccccc32)c1
InChIInChI=1S/C18H18O2/c1-2-6-13-7-5-8-14(11-13)18(19)16-12-20-17-10-4-3-9-15(16)17/h3-5,7-11,16H,2,6,12H2,1H3
InChIKeySFQGGRLEGHXBOA-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone
CID 116550292
(3-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 115812017
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(3-propylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105134013
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methylphenyl)propan-1-one
CID 63710119
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
CID 116543285
N-[[3-(bromomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313112
2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272629
2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
CID 102651090
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone (CID 116543458) is 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2COc3ccccc32)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone?
The InChIKey is SFQGGRLEGHXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-6-13-7-5-8-14(11-13)18(19)16-12-20-17-10-4-3-9-15(16)17/h3-5,7-11,16H,2,6,12H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone?
2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone has a molecular weight of 266.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone is sourced from PubChem (CID 116543458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).