7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]

C22H25NO2 — CID 135313499

IUPAC7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]
SMILESCOc1cc2c(cc1OCc1ccccc1)CC1(CC(C)(C)C1)N=C2
InChIInChI=1S/C22H25NO2/c1-21(2)14-22(15-21)11-17-9-20(19(24-3)10-18(17)12-23-22)25-13-16-7-5-4-6-8-16/h4-10,12H,11,13-15H2,1-3H3
InChIKeyGZNKHORJCRWSMU-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.81
Rot. Bonds4

About 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]

7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane] (PubChem CID 135313499) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane].

Molecular Properties

Compound Name7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]
PubChem CID135313499
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]
SMILESCOc1cc2c(cc1OCc1ccccc1)CC1(CC(C)(C)C1)N=C2
InChIInChI=1S/C22H25NO2/c1-21(2)14-22(15-21)11-17-9-20(19(24-3)10-18(17)12-23-22)25-13-16-7-5-4-6-8-16/h4-10,12H,11,13-15H2,1-3H3
InChIKeyGZNKHORJCRWSMU-UHFFFAOYSA-N
XLogP4.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane] with MolForge

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Related Compounds

(3R)-3-tert-butyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 125474210
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 102281148
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3-dimethylcyclobutyl]formamide
CID 135313669
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4026358
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
2-(6-methoxy-3,3-dimethyl-7-phenylmethoxy-2,4-dihydroisoquinolin-1-ylidene)acetamide
CID 23853064
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline
CID 138672844

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]?
The IUPAC name of 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane] (CID 135313499) is 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane].
What is the SMILES notation for 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]?
The canonical SMILES for 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane] is COc1cc2c(cc1OCc1ccccc1)CC1(CC(C)(C)C1)N=C2.
What is the InChIKey of 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]?
The InChIKey is GZNKHORJCRWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-21(2)14-22(15-21)11-17-9-20(19(24-3)10-18(17)12-23-22)25-13-16-7-5-4-6-8-16/h4-10,12H,11,13-15H2,1-3H3.
What are the key properties of 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]?
7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane] has a molecular weight of 335.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane] is sourced from PubChem (CID 135313499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).