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

C17H16O2 — CID 54908650

IUPAC3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H16O2/c1-12-4-2-5-14(10-12)17(18)15-7-8-16-13(11-15)6-3-9-19-16/h2,4-5,7-8,10-11H,3,6,9H2,1H3
InChIKeyRCCZWHWGVLMZTH-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.55
Rot. Bonds2

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

3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone (PubChem CID 54908650) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
PubChem CID54908650
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H16O2/c1-12-4-2-5-14(10-12)17(18)15-7-8-16-13(11-15)6-3-9-19-16/h2,4-5,7-8,10-11H,3,6,9H2,1H3
InChIKeyRCCZWHWGVLMZTH-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
CID 10088060
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151786
3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone
CID 63187549
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
3,4-dihydro-2H-chromen-6-yl-(2,4,6-trifluorophenyl)methanone
CID 65101149
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
CID 79685466
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
bis(3-methylphenyl)methanone
CID 17848
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone (CID 54908650) is 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone?
The InChIKey is RCCZWHWGVLMZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-4-2-5-14(10-12)17(18)15-7-8-16-13(11-15)6-3-9-19-16/h2,4-5,7-8,10-11H,3,6,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone?
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone has a molecular weight of 252.31 g/mol, XLogP of 3.55, 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-(3-methylphenyl)methanone is sourced from PubChem (CID 54908650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).