2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C19H18O2 — CID 62718081

IUPAC2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CCCc2ccccc21
InChIInChI=1S/C19H18O2/c20-19(15-8-9-18-14(12-15)10-11-21-18)17-7-3-5-13-4-1-2-6-16(13)17/h1-2,4,6,8-9,12,17H,3,5,7,10-11H2
InChIKeyRZQGATYAZZGSML-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.92
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 62718081) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID62718081
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CCCc2ccccc21
InChIInChI=1S/C19H18O2/c20-19(15-8-9-18-14(12-15)10-11-21-18)17-7-3-5-13-4-1-2-6-16(13)17/h1-2,4,6,8-9,12,17H,3,5,7,10-11H2
InChIKeyRZQGATYAZZGSML-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598214
3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892569
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 115373964
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 62718081) is 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(c1ccc2c(c1)CCO2)C1CCCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is RZQGATYAZZGSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-19(15-8-9-18-14(12-15)10-11-21-18)17-7-3-5-13-4-1-2-6-16(13)17/h1-2,4,6,8-9,12,17H,3,5,7,10-11H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 3.92, 2 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-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 62718081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).