(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone

C17H15ClO2 — CID 115811210

IUPAC(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1cccc2c1OCCC2
InChIInChI=1S/C17H15ClO2/c1-11-7-8-13(18)10-15(11)16(19)14-6-2-4-12-5-3-9-20-17(12)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyVNNRLAMGQOAGNX-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.20
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone

(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone (PubChem CID 115811210) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
PubChem CID115811210
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1cccc2c1OCCC2
InChIInChI=1S/C17H15ClO2/c1-11-7-8-13(18)10-15(11)16(19)14-6-2-4-12-5-3-9-20-17(12)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyVNNRLAMGQOAGNX-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114025606
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 105133622
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114747933
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 114744317
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone (CID 115811210) is (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone is Cc1ccc(Cl)cc1C(=O)c1cccc2c1OCCC2.
What is the InChIKey of (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The InChIKey is VNNRLAMGQOAGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-11-7-8-13(18)10-15(11)16(19)14-6-2-4-12-5-3-9-20-17(12)14/h2,4,6-8,10H,3,5,9H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone has a molecular weight of 286.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone is sourced from PubChem (CID 115811210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).