(5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine

C17H24O — CID 170669014

IUPAC(5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine
SMILESCC(C)/C1=C/CCCOc2cccc(C(C)C)c21
InChIInChI=1S/C17H24O/c1-12(2)14-8-5-6-11-18-16-10-7-9-15(13(3)4)17(14)16/h7-10,12-13H,5-6,11H2,1-4H3/b14-8-
InChIKeyOWXYWBIBGBBKQU-ZSOIEALJSA-N
MW244.38 g/mol
LogP5.02
Rot. Bonds2

About (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine

(5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine (PubChem CID 170669014) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine.

Molecular Properties

Compound Name(5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine
PubChem CID170669014
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine
SMILESCC(C)/C1=C/CCCOc2cccc(C(C)C)c21
InChIInChI=1S/C17H24O/c1-12(2)14-8-5-6-11-18-16-10-7-9-15(13(3)4)17(14)16/h7-10,12-13H,5-6,11H2,1-4H3/b14-8-
InChIKeyOWXYWBIBGBBKQU-ZSOIEALJSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine?
The IUPAC name of (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine (CID 170669014) is (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine.
What is the SMILES notation for (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine?
The canonical SMILES for (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine is CC(C)/C1=C/CCCOc2cccc(C(C)C)c21.
What is the InChIKey of (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine?
The InChIKey is OWXYWBIBGBBKQU-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H24O/c1-12(2)14-8-5-6-11-18-16-10-7-9-15(13(3)4)17(14)16/h7-10,12-13H,5-6,11H2,1-4H3/b14-8-.
What are the key properties of (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine?
(5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine has a molecular weight of 244.38 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6,7-di(propan-2-yl)-3,4-dihydro-2H-1-benzoxocine is sourced from PubChem (CID 170669014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).