6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

C16H14Cl2O2 — CID 106819475

IUPAC6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(C2CC(O)c3cc(Cl)ccc3O2)cc1Cl
InChIInChI=1S/C16H14Cl2O2/c1-9-2-3-10(6-13(9)18)16-8-14(19)12-7-11(17)4-5-15(12)20-16/h2-7,14,16,19H,8H2,1H3
InChIKeyCVMIIHKEYMVLGG-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.86
Rot. Bonds1

About 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 106819475) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID106819475
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(C2CC(O)c3cc(Cl)ccc3O2)cc1Cl
InChIInChI=1S/C16H14Cl2O2/c1-9-2-3-10(6-13(9)18)16-8-14(19)12-7-11(17)4-5-15(12)20-16/h2-7,14,16,19H,8H2,1H3
InChIKeyCVMIIHKEYMVLGG-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

(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949177
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 106819475) is 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccc(C2CC(O)c3cc(Cl)ccc3O2)cc1Cl.
What is the InChIKey of 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CVMIIHKEYMVLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-9-2-3-10(6-13(9)18)16-8-14(19)12-7-11(17)4-5-15(12)20-16/h2-7,14,16,19H,8H2,1H3.
What are the key properties of 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(3-chloro-4-methylphenyl)-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 6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 106819475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).