3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride

C22H20ClNO — CID 11256591

IUPAC3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
SMILESC(=C1\CCc2cc(OCc3ccccc3)ccc21)\c1cccnc1.Cl
InChIInChI=1S/C22H19NO.ClH/c1-2-5-17(6-3-1)16-24-21-10-11-22-19(8-9-20(22)14-21)13-18-7-4-12-23-15-18;/h1-7,10-15H,8-9,16H2;1H/b19-13+;
InChIKeyCXLRRUCJIINYHL-XTWSRORZSA-N
MW349.86 g/mol
LogP5.57
Rot. Bonds4

About 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride

3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride (PubChem CID 11256591) has the molecular formula C22H20ClNO and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
PubChem CID11256591
Molecular FormulaC22H20ClNO
Molecular Weight349.86 g/mol
Exact Mass349.12
IUPAC Name3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
SMILESC(=C1\CCc2cc(OCc3ccccc3)ccc21)\c1cccnc1.Cl
InChIInChI=1S/C22H19NO.ClH/c1-2-5-17(6-3-1)16-24-21-10-11-22-19(8-9-20(22)14-21)13-18-7-4-12-23-15-18;/h1-7,10-15H,8-9,16H2;1H/b19-13+;
InChIKeyCXLRRUCJIINYHL-XTWSRORZSA-N
XLogP5.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.86
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine
CID 6539765
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
3-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
CID 6539762
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 54214739
1-[(Z)-1-chloro-2-phenylethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 22158148
2-[(E)-[6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]guanidine
CID 11381310
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
The IUPAC name of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride (CID 11256591) is 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
The canonical SMILES for 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride is C(=C1\CCc2cc(OCc3ccccc3)ccc21)\c1cccnc1.Cl.
What is the InChIKey of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
The InChIKey is CXLRRUCJIINYHL-XTWSRORZSA-N. The full InChI is InChI=1S/C22H19NO.ClH/c1-2-5-17(6-3-1)16-24-21-10-11-22-19(8-9-20(22)14-21)13-18-7-4-12-23-15-18;/h1-7,10-15H,8-9,16H2;1H/b19-13+;.
What are the key properties of 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride is sourced from PubChem (CID 11256591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).