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

C16H14BrClO3 — CID 114715455

IUPAC2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1ccc(Br)cc1Cl)O2
InChIInChI=1S/C16H14BrClO3/c1-20-10-3-5-15-12(7-10)14(19)8-16(21-15)11-4-2-9(17)6-13(11)18/h2-7,14,16,19H,8H2,1H3
InChIKeyYIFRYHUQCQFRMV-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.67
Rot. Bonds2

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

2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715455) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715455
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1ccc(Br)cc1Cl)O2
InChIInChI=1S/C16H14BrClO3/c1-20-10-3-5-15-12(7-10)14(19)8-16(21-15)11-4-2-9(17)6-13(11)18/h2-7,14,16,19H,8H2,1H3
InChIKeyYIFRYHUQCQFRMV-UHFFFAOYSA-N
XLogP4.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715443
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 114715455) is 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)C(O)CC(c1ccc(Br)cc1Cl)O2.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YIFRYHUQCQFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-20-10-3-5-15-12(7-10)14(19)8-16(21-15)11-4-2-9(17)6-13(11)18/h2-7,14,16,19H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 369.64 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).