(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C12H15BrO3 — CID 105057504

IUPAC(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cc(Br)c(OC)c2c1CCC[C@@H]2O
InChIInChI=1S/C12H15BrO3/c1-15-10-6-8(13)12(16-2)11-7(10)4-3-5-9(11)14/h6,9,14H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyPACDBZKSGYQMPE-VIFPVBQESA-N
MW287.15 g/mol
LogP2.84
Rot. Bonds2

About (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 105057504) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID105057504
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cc(Br)c(OC)c2c1CCC[C@@H]2O
InChIInChI=1S/C12H15BrO3/c1-15-10-6-8(13)12(16-2)11-7(10)4-3-5-9(11)14/h6,9,14H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyPACDBZKSGYQMPE-VIFPVBQESA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105057486
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623
7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10954731
(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 105057506
3-bromo-4-methoxy-5,6,7,8-tetrahydroquinolin-8-ol
CID 156851078
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 56601921
6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18976424
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 119053876
3-bromo-N-ethyl-1,4-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 105057499
6-bromo-9-methoxy-7-methyl-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
CID 65433390

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 105057504) is (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol is COc1cc(Br)c(OC)c2c1CCC[C@@H]2O.
What is the InChIKey of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is PACDBZKSGYQMPE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15BrO3/c1-15-10-6-8(13)12(16-2)11-7(10)4-3-5-9(11)14/h6,9,14H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 287.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 105057504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).