3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone

C18H18O3 — CID 63709183

IUPAC3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C18H18O3/c1-12-7-8-16(20-2)15(11-12)18(19)14-9-10-21-17-6-4-3-5-13(14)17/h3-8,11,14H,9-10H2,1-2H3
InChIKeyMSSAXFFFAYVHOS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.75
Rot. Bonds3

About 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone

3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone (PubChem CID 63709183) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
PubChem CID63709183
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C18H18O3/c1-12-7-8-16(20-2)15(11-12)18(19)14-9-10-21-17-6-4-3-5-13(14)17/h3-8,11,14H,9-10H2,1-2H3
InChIKeyMSSAXFFFAYVHOS-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(5-iodo-2-methoxyphenyl)methanone
CID 63709913
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115798883
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
CID 115798919
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methylphenyl)propan-1-one
CID 63710119
3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate
CID 170048859
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone (CID 63709183) is 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)C1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is MSSAXFFFAYVHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-7-8-16(20-2)15(11-12)18(19)14-9-10-21-17-6-4-3-5-13(14)17/h3-8,11,14H,9-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone?
3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 63709183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).