3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone

C19H18O2 — CID 106892569

IUPAC3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)C1Cc2ccccc2C1
InChIInChI=1S/C19H18O2/c20-19(17-10-13-4-1-2-5-14(13)11-17)16-7-8-18-15(12-16)6-3-9-21-18/h1-2,4-5,7-8,12,17H,3,6,9-11H2
InChIKeyJEHMASXYTMQJNC-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.61
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone

3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106892569) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106892569
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCO2)C1Cc2ccccc2C1
InChIInChI=1S/C19H18O2/c20-19(17-10-13-4-1-2-5-14(13)11-17)16-7-8-18-15(12-16)6-3-9-21-18/h1-2,4-5,7-8,12,17H,3,6,9-11H2
InChIKeyJEHMASXYTMQJNC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-tetrahydronaphthalen-1-yl)methanone
CID 62718081
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
3,4-dihydro-2H-chromen-6-yl-(1,1-dioxothian-2-yl)methanone
CID 104518109
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone (CID 106892569) is 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone is O=C(c1ccc2c(c1)CCCO2)C1Cc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is JEHMASXYTMQJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-19(17-10-13-4-1-2-5-14(13)11-17)16-7-8-18-15(12-16)6-3-9-21-18/h1-2,4-5,7-8,12,17H,3,6,9-11H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone?
3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106892569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).