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

C17H17BrO3 — CID 114714756

IUPAC7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccccc1C1CC(O)c2ccc(Br)cc2O1
InChIInChI=1S/C17H17BrO3/c1-2-20-15-6-4-3-5-13(15)17-10-14(19)12-8-7-11(18)9-16(12)21-17/h3-9,14,17,19H,2,10H2,1H3
InChIKeyATUIUCSCFQOUNW-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.41
Rot. Bonds3

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

7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714756) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714756
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccccc1C1CC(O)c2ccc(Br)cc2O1
InChIInChI=1S/C17H17BrO3/c1-2-20-15-6-4-3-5-13(15)17-10-14(19)12-8-7-11(18)9-16(12)21-17/h3-9,14,17,19H,2,10H2,1H3
InChIKeyATUIUCSCFQOUNW-UHFFFAOYSA-N
XLogP4.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714801
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949983
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730
2-(1-benzothiophen-3-yl)-7-bromo-3,4-dihydro-2H-chromen-4-ol
CID 114714624
(4S)-7-bromo-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949593
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
(4S)-7-bromo-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 102846006
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714756) is 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCOc1ccccc1C1CC(O)c2ccc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ATUIUCSCFQOUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-2-20-15-6-4-3-5-13(15)17-10-14(19)12-8-7-11(18)9-16(12)21-17/h3-9,14,17,19H,2,10H2,1H3.
What are the key properties of 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 349.22 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).