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

C12H15BrO2 — CID 84712946

IUPAC4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCOc1c(O)cc2c(c1Br)CCCCC2
InChIInChI=1S/C12H15BrO2/c1-15-12-10(14)7-8-5-3-2-4-6-9(8)11(12)13/h7,14H,2-6H2,1H3
InChIKeyGPABNXJUNRIMPL-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.43
Rot. Bonds1

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

4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (PubChem CID 84712946) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
PubChem CID84712946
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCOc1c(O)cc2c(c1Br)CCCCC2
InChIInChI=1S/C12H15BrO2/c1-15-12-10(14)7-8-5-3-2-4-6-9(8)11(12)13/h7,14H,2-6H2,1H3
InChIKeyGPABNXJUNRIMPL-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

5-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83901594
4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712949
1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84715361
7-bromo-6-methoxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 117383062
3-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanal
CID 117496048
O-[2-(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethyl]hydroxylamine
CID 117499820
1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 117454974
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117481875
3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117495082
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 117457103
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol
CID 102314511
[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117495126

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The IUPAC name of 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (CID 84712946) is 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.
What is the SMILES notation for 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The canonical SMILES for 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is COc1c(O)cc2c(c1Br)CCCCC2.
What is the InChIKey of 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The InChIKey is GPABNXJUNRIMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-15-12-10(14)7-8-5-3-2-4-6-9(8)11(12)13/h7,14H,2-6H2,1H3.
What are the key properties of 4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-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-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is sourced from PubChem (CID 84712946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).