2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C16H14Cl2O2 — CID 114715161

IUPAC2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(c1cccc(Cl)c1Cl)O2
InChIInChI=1S/C16H14Cl2O2/c1-9-5-6-14-11(7-9)13(19)8-15(20-14)10-3-2-4-12(17)16(10)18/h2-7,13,15,19H,8H2,1H3
InChIKeyKWCQBFGQFHUTBL-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.86
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715161) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715161
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(c1cccc(Cl)c1Cl)O2
InChIInChI=1S/C16H14Cl2O2/c1-9-5-6-14-11(7-9)13(19)8-15(20-14)10-3-2-4-12(17)16(10)18/h2-7,13,15,19H,8H2,1H3
InChIKeyKWCQBFGQFHUTBL-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950366
(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950320
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 114715161) is 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)C(O)CC(c1cccc(Cl)c1Cl)O2.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KWCQBFGQFHUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-9-5-6-14-11(7-9)13(19)8-15(20-14)10-3-2-4-12(17)16(10)18/h2-7,13,15,19H,8H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 309.19 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).