1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine

C22H23NO — CID 118370203

IUPAC1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine
SMILESC1=CC(OC2CN(C(c3ccccc3)c3ccccc3)C2)=CCC1
InChIInChI=1S/C22H23NO/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)23-16-21(17-23)24-20-14-8-3-9-15-20/h1-2,4-8,10-15,21-22H,3,9,16-17H2
InChIKeyQYCJUZQOUIQHIJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.71
Rot. Bonds5

About 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine

1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine (PubChem CID 118370203) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine.

Molecular Properties

Compound Name1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine
PubChem CID118370203
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine
SMILESC1=CC(OC2CN(C(c3ccccc3)c3ccccc3)C2)=CCC1
InChIInChI=1S/C22H23NO/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)23-16-21(17-23)24-20-14-8-3-9-15-20/h1-2,4-8,10-15,21-22H,3,9,16-17H2
InChIKeyQYCJUZQOUIQHIJ-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)oxyazetidine
CID 118370222
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine
CID 22451505
1-benzhydryl-3-(oxolan-3-yloxy)azetidine
CID 139563500
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
CID 58465527
cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
1-benzhydryl-3-but-2-enoxyazetidine
CID 67154585
1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
1-benzhydryl-3-phenylmethoxyazetidine;iodomethane;3-phenylmethoxyazetidine
CID 161361282
methyl 4-(1-benzhydrylazetidin-3-yl)oxy-3,5-difluorobenzoate
CID 118685912
1-benzhydryl-3-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]azetidine
CID 70974608

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine?
The IUPAC name of 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine (CID 118370203) is 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine.
What is the SMILES notation for 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine?
The canonical SMILES for 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine is C1=CC(OC2CN(C(c3ccccc3)c3ccccc3)C2)=CCC1.
What is the InChIKey of 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine?
The InChIKey is QYCJUZQOUIQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)23-16-21(17-23)24-20-14-8-3-9-15-20/h1-2,4-8,10-15,21-22H,3,9,16-17H2.
What are the key properties of 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine?
1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine has a molecular weight of 317.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-cyclohexa-1,5-dien-1-yloxyazetidine is sourced from PubChem (CID 118370203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).