4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C12H15BrO2 — CID 84712949

IUPAC4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESCOc1cc2c(c(Br)c1O)CCCCC2
InChIInChI=1S/C12H15BrO2/c1-15-10-7-8-5-3-2-4-6-9(8)11(13)12(10)14/h7,14H,2-6H2,1H3
InChIKeyNVXYPTSQSDPEIG-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.43
Rot. Bonds1

About 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 84712949) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID84712949
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESCOc1cc2c(c(Br)c1O)CCCCC2
InChIInChI=1S/C12H15BrO2/c1-15-10-7-8-5-3-2-4-6-9(8)11(13)12(10)14/h7,14H,2-6H2,1H3
InChIKeyNVXYPTSQSDPEIG-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
CID 84712946
8-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol
CID 7055361
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 117419069
4-bromo-2-[(hydroxyamino)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117460807
1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84715361
1-(4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-(methylamino)ethanone
CID 117497175
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
CID 171560787
3-bromo-1-methoxy-5,6,7,8-tetrahydroisoquinoline
CID 154352348
2-(5-amino-1-methylpyrazol-3-yl)-4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 136998201
14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
CID 11196307
2-bromo-4-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 84712949) is 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is COc1cc2c(c(Br)c1O)CCCCC2.
What is the InChIKey of 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is NVXYPTSQSDPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-15-10-7-8-5-3-2-4-6-9(8)11(13)12(10)14/h7,14H,2-6H2,1H3.
What are the key properties of 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 271.15 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 84712949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).