3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol

C19H15BrO2 — CID 132502540

IUPAC3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol
SMILESOCCCc1c2c3cc(Br)ccc3occ-2c2ccccc12
InChIInChI=1S/C19H15BrO2/c20-12-7-8-18-16(10-12)19-15(6-3-9-21)13-4-1-2-5-14(13)17(19)11-22-18/h1-2,4-5,7-8,10-11,21H,3,6,9H2
InChIKeyKNUMZWUYDZBKJJ-UHFFFAOYSA-N
MW355.23 g/mol
LogP5.38
Rot. Bonds3

About 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol

3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol (PubChem CID 132502540) has the molecular formula C19H15BrO2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol
PubChem CID132502540
Molecular FormulaC19H15BrO2
Molecular Weight355.23 g/mol
Exact Mass354.03
IUPAC Name3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol
SMILESOCCCc1c2c3cc(Br)ccc3occ-2c2ccccc12
InChIInChI=1S/C19H15BrO2/c20-12-7-8-18-16(10-12)19-15(6-3-9-21)13-4-1-2-5-14(13)17(19)11-22-18/h1-2,4-5,7-8,10-11,21H,3,6,9H2
InChIKeyKNUMZWUYDZBKJJ-UHFFFAOYSA-N
XLogP5.38
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.23
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol
CID 132502541
(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
3-(1-benzofuran-3-yl)-4-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]pyrrole-2,5-dione
CID 71734778
3-(4-bromophenyl)-5-fluoro-1-benzofuran
CID 10565480
3-(4-methylphenyl)-1-benzofuran
CID 11160085
[5-bromo-3-(1,3-oxazol-4-yl)-1-benzofuran-2-yl]methanol
CID 149252139
3,5-diphenyl-1-benzofuran
CID 66988357
2-[4-(1-benzofuran-3-yl)-6-methylpyrimidin-2-yl]ethanol
CID 116893955
3-(4-bromofuran-2-yl)propan-1-ol
CID 101100503
5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
CID 132580628
5-bromo-3-methoxy-1-benzofuran
CID 83823580

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol?
The IUPAC name of 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol (CID 132502540) is 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol.
What is the SMILES notation for 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol?
The canonical SMILES for 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol is OCCCc1c2c3cc(Br)ccc3occ-2c2ccccc12.
What is the InChIKey of 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol?
The InChIKey is KNUMZWUYDZBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO2/c20-12-7-8-18-16(10-12)19-15(6-3-9-21)13-4-1-2-5-14(13)17(19)11-22-18/h1-2,4-5,7-8,10-11,21H,3,6,9H2.
What are the key properties of 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol?
3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol has a molecular weight of 355.23 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoindeno[1,2-c]chromen-11-yl)propan-1-ol is sourced from PubChem (CID 132502540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).