1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline

C24H20ClNO — CID 54214739

IUPAC1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESClC(=Cc1ccccc1)C1=NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H20ClNO/c25-23(15-18-7-3-1-4-8-18)24-22-12-11-21(16-20(22)13-14-26-24)27-17-19-9-5-2-6-10-19/h1-12,15-16H,13-14,17H2
InChIKeyPYJMUQLESPATOW-UHFFFAOYSA-N
MW373.88 g/mol
LogP5.89
Rot. Bonds5

About 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline

1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline (PubChem CID 54214739) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline
PubChem CID54214739
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESClC(=Cc1ccccc1)C1=NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H20ClNO/c25-23(15-18-7-3-1-4-8-18)24-22-12-11-21(16-20(22)13-14-26-24)27-17-19-9-5-2-6-10-19/h1-12,15-16H,13-14,17H2
InChIKeyPYJMUQLESPATOW-UHFFFAOYSA-N
XLogP5.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-1-chloro-2-phenylethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 22158148
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine
CID 139213873
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
CID 11256591
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489
6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline;hydrochloride
CID 22158294
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 129096575
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
1-benzyl-6-[(E)-but-2-enoxy]-3,4-dihydroisoquinoline
CID 11208554

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline (CID 54214739) is 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline is ClC(=Cc1ccccc1)C1=NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline?
The InChIKey is PYJMUQLESPATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO/c25-23(15-18-7-3-1-4-8-18)24-22-12-11-21(16-20(22)13-14-26-24)27-17-19-9-5-2-6-10-19/h1-12,15-16H,13-14,17H2.
What are the key properties of 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline?
1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline has a molecular weight of 373.88 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-phenylethenyl)-6-phenylmethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 54214739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).