2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C14H19BrO2 — CID 117481938

IUPAC2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESCC(CO)c1c(O)c(Br)cc2c1CCCCC2
InChIInChI=1S/C14H19BrO2/c1-9(8-16)13-11-6-4-2-3-5-10(11)7-12(15)14(13)17/h7,9,16-17H,2-6,8H2,1H3
InChIKeyDVMOHNWOYLXQQA-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.52
Rot. Bonds2

About 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 117481938) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID117481938
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESCC(CO)c1c(O)c(Br)cc2c1CCCCC2
InChIInChI=1S/C14H19BrO2/c1-9(8-16)13-11-6-4-2-3-5-10(11)7-12(15)14(13)17/h7,9,16-17H,2-6,8H2,1H3
InChIKeyDVMOHNWOYLXQQA-UHFFFAOYSA-N
XLogP3.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol with MolForge

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Related Compounds

4-(4-aminobutan-2-yl)-2-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117497465
3-bromo-1-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117483744
2-bromo-4-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712986
4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117401010
2-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)acetonitrile
CID 84811733
2-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-2-oxoacetic acid
CID 117498093
3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 117383063
3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58193775
2-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-oxoacetic acid
CID 117481511
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84708520
2-amino-2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)ethanol
CID 117427965
4-iodo-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 70563119

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 117481938) is 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is CC(CO)c1c(O)c(Br)cc2c1CCCCC2.
What is the InChIKey of 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is DVMOHNWOYLXQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-9(8-16)13-11-6-4-2-3-5-10(11)7-12(15)14(13)17/h7,9,16-17H,2-6,8H2,1H3.
What are the key properties of 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 299.21 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 117481938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).