1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone

C17H18O3 — CID 14343014

IUPAC1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(o1)CCCC2OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-12(18)17-10-14-15(8-5-9-16(14)20-17)19-11-13-6-3-2-4-7-13/h2-4,6-7,10,15H,5,8-9,11H2,1H3
InChIKeyDSBSDDHBFKCUDL-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.08
Rot. Bonds4

About 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone

1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone (PubChem CID 14343014) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone
PubChem CID14343014
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(o1)CCCC2OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-12(18)17-10-14-15(8-5-9-16(14)20-17)19-11-13-6-3-2-4-7-13/h2-4,6-7,10,15H,5,8-9,11H2,1H3
InChIKeyDSBSDDHBFKCUDL-UHFFFAOYSA-N
XLogP4.08
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-3-phenylmethoxy-2,3-dihydro-1H-indene-5-carboxylate
CID 90254651
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516
4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
CID 11346272
5-bromo-1-phenylmethoxy-2,3-dihydro-1H-indene
CID 175829642
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one
CID 11032697
(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 155415771
[(5R)-2-hydroxy-3,4-dioxo-5-phenylmethoxycyclohexyl]methyl acetate
CID 91930485
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
[(1S,2R,3R,4S,5S,6R)-2-acetyloxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] 2-hydroxyacetate
CID 10952364
1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone
CID 68987679

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone (CID 14343014) is 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2c(o1)CCCC2OCc1ccccc1.
What is the InChIKey of 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone?
The InChIKey is DSBSDDHBFKCUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(18)17-10-14-15(8-5-9-16(14)20-17)19-11-13-6-3-2-4-7-13/h2-4,6-7,10,15H,5,8-9,11H2,1H3.
What are the key properties of 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone?
1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 14343014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).