(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C16H14BrClO2 — CID 104950362

IUPAC(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1ccc(Cl)cc1Br)O2
InChIInChI=1S/C16H14BrClO2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(18)7-13(11)17/h2-7,14,16,19H,8H2,1H3/t14-,16?/m1/s1
InChIKeyJPLKVOBZGWUXKY-IURRXHLWSA-N
MW353.64 g/mol
LogP4.97
Rot. Bonds1

About (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950362) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950362
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC(c1ccc(Cl)cc1Br)O2
InChIInChI=1S/C16H14BrClO2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(18)7-13(11)17/h2-7,14,16,19H,8H2,1H3/t14-,16?/m1/s1
InChIKeyJPLKVOBZGWUXKY-IURRXHLWSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715161
(4R)-2-(2,3-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950366
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
(4R)-2-(4,5-dibromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102846013
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
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
(4R)-2-(2,3-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950320
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 104950362) is (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)[C@H](O)CC(c1ccc(Cl)cc1Br)O2.
What is the InChIKey of (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JPLKVOBZGWUXKY-IURRXHLWSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(18)7-13(11)17/h2-7,14,16,19H,8H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 353.64 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).