3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol

C17H19NO2 — CID 59027955

IUPAC3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
SMILESOc1cccc(OCc2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C17H19NO2/c19-16-2-1-3-17(11-16)20-12-13-4-5-14-6-8-18-9-7-15(14)10-13/h1-5,10-11,18-19H,6-9,12H2
InChIKeyAWTZWWSBGUGHFZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.66
Rot. Bonds3

About 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol

3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol (PubChem CID 59027955) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
PubChem CID59027955
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
SMILESOc1cccc(OCc2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C17H19NO2/c19-16-2-1-3-17(11-16)20-12-13-4-5-14-6-8-18-9-7-15(14)10-13/h1-5,10-11,18-19H,6-9,12H2
InChIKeyAWTZWWSBGUGHFZ-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77022763
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104574
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104157
3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenol
CID 155241644
3-(2,5-dihydro-1H-pyrrol-3-ylmethoxy)phenol
CID 117205413
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
3-[(2-bromocyclohexen-1-yl)methoxy]phenol
CID 11011478
4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
CID 58042761
3-[[4-amino-3-(trifluoromethyl)phenyl]methoxy]phenol
CID 117220304
3-[[3-amino-4-(trifluoromethyl)phenyl]methoxy]phenol
CID 117221806

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol?
The IUPAC name of 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol (CID 59027955) is 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol.
What is the SMILES notation for 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol?
The canonical SMILES for 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol is Oc1cccc(OCc2ccc3c(c2)CCNCC3)c1.
What is the InChIKey of 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol?
The InChIKey is AWTZWWSBGUGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16-2-1-3-17(11-16)20-12-13-4-5-14-6-8-18-9-7-15(14)10-13/h1-5,10-11,18-19H,6-9,12H2.
What are the key properties of 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol?
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol has a molecular weight of 269.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol is sourced from PubChem (CID 59027955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).