1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone

C18H18O2 — CID 114744040

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C18H18O2/c1-13-6-2-3-7-15(13)12-17(19)16-10-4-8-14-9-5-11-20-18(14)16/h2-4,6-8,10H,5,9,11-12H2,1H3
InChIKeyYQJSYUSYWIVXKO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone

1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone (PubChem CID 114744040) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
PubChem CID114744040
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C18H18O2/c1-13-6-2-3-7-15(13)12-17(19)16-10-4-8-14-9-5-11-20-18(14)16/h2-4,6-8,10H,5,9,11-12H2,1H3
InChIKeyYQJSYUSYWIVXKO-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975
(2,3-dimethylphenyl) 3,4-dihydro-2H-chromene-8-carboxylate
CID 90702870
1-(3,4-dihydro-2H-chromen-8-yl)-2-(3-methylphenyl)sulfanylethanone
CID 114744206
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
CID 103447275

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone (CID 114744040) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is YQJSYUSYWIVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-6-2-3-7-15(13)12-17(19)16-10-4-8-14-9-5-11-20-18(14)16/h2-4,6-8,10H,5,9,11-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone?
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.75, 3 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-8-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 114744040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).