(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol

C13H17BrO3 — CID 105057506

IUPAC(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCOc1cc(Br)c(OC)c2c1C(C)(C)C[C@H]2O
InChIInChI=1S/C13H17BrO3/c1-13(2)6-8(15)10-11(13)9(16-3)5-7(14)12(10)17-4/h5,8,15H,6H2,1-4H3/t8-/m1/s1
InChIKeyMYPHBLCVBIBVDA-MRVPVSSYSA-N
MW301.18 g/mol
LogP3.18
Rot. Bonds2

About (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol

(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 105057506) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID105057506
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCOc1cc(Br)c(OC)c2c1C(C)(C)C[C@H]2O
InChIInChI=1S/C13H17BrO3/c1-13(2)6-8(15)10-11(13)9(16-3)5-7(14)12(10)17-4/h5,8,15H,6H2,1-4H3/t8-/m1/s1
InChIKeyMYPHBLCVBIBVDA-MRVPVSSYSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 105057489
(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol
CID 79837954
(1S)-4-bromo-6,7-diethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837856
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 105057504
1,7-dibromo-4-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837869
1-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837496
3-bromo-N-ethyl-1,4-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 105057499
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837934
6-bromo-3-ethyl-5,8-dimethoxy-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356652

Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 105057506) is (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol is COc1cc(Br)c(OC)c2c1C(C)(C)C[C@H]2O.
What is the InChIKey of (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is MYPHBLCVBIBVDA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-13(2)6-8(15)10-11(13)9(16-3)5-7(14)12(10)17-4/h5,8,15H,6H2,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
(1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 301.18 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 105057506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).