1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one

C18H17ClO2 — CID 104769739

IUPAC1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)CC1CCOc2ccccc21
InChIInChI=1S/C18H17ClO2/c19-15-7-5-13(6-8-15)11-16(20)12-14-9-10-21-18-4-2-1-3-17(14)18/h1-8,14H,9-12H2
InChIKeyTYVFGURCNBENQG-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.41
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one

1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one (PubChem CID 104769739) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
PubChem CID104769739
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)CC1CCOc2ccccc21
InChIInChI=1S/C18H17ClO2/c19-15-7-5-13(6-8-15)11-16(20)12-14-9-10-21-18-4-2-1-3-17(14)18/h1-8,14H,9-12H2
InChIKeyTYVFGURCNBENQG-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one
CID 105127699
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798791
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one (CID 104769739) is 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one is O=C(Cc1ccc(Cl)cc1)CC1CCOc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
The InChIKey is TYVFGURCNBENQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c19-15-7-5-13(6-8-15)11-16(20)12-14-9-10-21-18-4-2-1-3-17(14)18/h1-8,14H,9-12H2.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one?
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one has a molecular weight of 300.79 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one is sourced from PubChem (CID 104769739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).