6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol

C11H12ClNO — CID 142897885

IUPAC6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol
SMILESCc1cc(Cl)c2c(c1O)N=CCCC2
InChIInChI=1S/C11H12ClNO/c1-7-6-9(12)8-4-2-3-5-13-10(8)11(7)14/h5-6,14H,2-4H2,1H3
InChIKeyDKKXAJCSOSMKKR-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.39
Rot. Bonds

About 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol

6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol (PubChem CID 142897885) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol.

Molecular Properties

Compound Name6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol
PubChem CID142897885
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol
SMILESCc1cc(Cl)c2c(c1O)N=CCCC2
InChIInChI=1S/C11H12ClNO/c1-7-6-9(12)8-4-2-3-5-13-10(8)11(7)14/h5-6,14H,2-4H2,1H3
InChIKeyDKKXAJCSOSMKKR-UHFFFAOYSA-N
XLogP3.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
4,5-dihydro-3H-1-benzazepine-7,8-diol
CID 87881763
3-bromo-4-chloro-2,6-dimethylphenol
CID 86152759
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol
CID 54105253
4-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-2,6-dimethylphenol
CID 135981160
3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
CID 14030309
7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol
CID 165122996
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
2-chloro-6-methyl-4-sulfanylphenol
CID 91874324

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol?
The IUPAC name of 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol (CID 142897885) is 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol.
What is the SMILES notation for 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol?
The canonical SMILES for 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol is Cc1cc(Cl)c2c(c1O)N=CCCC2.
What is the InChIKey of 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol?
The InChIKey is DKKXAJCSOSMKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-6-9(12)8-4-2-3-5-13-10(8)11(7)14/h5-6,14H,2-4H2,1H3.
What are the key properties of 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol?
6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol has a molecular weight of 209.68 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol is sourced from PubChem (CID 142897885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).