6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol

C17H17ClO2 — CID 114714427

IUPAC6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)cc(C2CC(O)c3cc(Cl)ccc3O2)c1
InChIInChI=1S/C17H17ClO2/c1-10-5-11(2)7-12(6-10)17-9-15(19)14-8-13(18)3-4-16(14)20-17/h3-8,15,17,19H,9H2,1-2H3
InChIKeyPFGGBNNPAUHTSJ-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.51
Rot. Bonds1

About 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714427) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714427
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)cc(C2CC(O)c3cc(Cl)ccc3O2)c1
InChIInChI=1S/C17H17ClO2/c1-10-5-11(2)7-12(6-10)17-9-15(19)14-8-13(18)3-4-16(14)20-17/h3-8,15,17,19H,9H2,1-2H3
InChIKeyPFGGBNNPAUHTSJ-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4S)-6-bromo-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951129
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949002
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714427) is 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1cc(C)cc(C2CC(O)c3cc(Cl)ccc3O2)c1.
What is the InChIKey of 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PFGGBNNPAUHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-10-5-11(2)7-12(6-10)17-9-15(19)14-8-13(18)3-4-16(14)20-17/h3-8,15,17,19H,9H2,1-2H3.
What are the key properties of 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.77 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).