1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone

C18H18O3 — CID 61027750

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H18O3/c1-20-17-7-3-2-5-15(17)12-16(19)13-8-9-18-14(11-13)6-4-10-21-18/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyPOBBEFRDUKKIRP-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.45
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone

1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 61027750) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID61027750
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H18O3/c1-20-17-7-3-2-5-15(17)12-16(19)13-8-9-18-14(11-13)6-4-10-21-18/h2-3,5,7-9,11H,4,6,10,12H2,1H3
InChIKeyPOBBEFRDUKKIRP-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110771122
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
CID 141068958
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone (CID 61027750) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is POBBEFRDUKKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-17-7-3-2-5-15(17)12-16(19)13-8-9-18-14(11-13)6-4-10-21-18/h2-3,5,7-9,11H,4,6,10,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone?
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 282.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 61027750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).