2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

C16H14BrClO3 — CID 114714248

IUPAC2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1ccc(Cl)c(Br)c1)CC2O
InChIInChI=1S/C16H14BrClO3/c1-20-10-3-4-11-14(19)8-15(21-16(11)7-10)9-2-5-13(18)12(17)6-9/h2-7,14-15,19H,8H2,1H3
InChIKeyWGHIRTIGCYXKFL-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.67
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714248) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714248
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1ccc(Cl)c(Br)c1)CC2O
InChIInChI=1S/C16H14BrClO3/c1-20-10-3-4-11-14(19)8-15(21-16(11)7-10)9-2-5-13(18)12(17)6-9/h2-7,14-15,19H,8H2,1H3
InChIKeyWGHIRTIGCYXKFL-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

(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949823
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948583
2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102845963
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
2-(3-bromothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714221
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 114714248) is 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC(c1ccc(Cl)c(Br)c1)CC2O.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WGHIRTIGCYXKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-20-10-3-4-11-14(19)8-15(21-16(11)7-10)9-2-5-13(18)12(17)6-9/h2-7,14-15,19H,8H2,1H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-(3-bromo-4-chlorophenyl)-7-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-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).