methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate

C20H21NO4 — CID 148980202

IUPACmethyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)/C(=N/c1ccc(OC)cc1)CCC2
InChIInChI=1S/C20H21NO4/c1-23-16-10-7-15(8-11-16)21-19-5-3-4-14-6-9-17(12-18(14)19)25-13-20(22)24-2/h6-12H,3-5,13H2,1-2H3/b21-19+
InChIKeyPVOVJBSYBFMERV-XUTLUUPISA-N
MW339.39 g/mol
LogP3.70
Rot. Bonds5

About methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate

methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate (PubChem CID 148980202) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate
PubChem CID148980202
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)/C(=N/c1ccc(OC)cc1)CCC2
InChIInChI=1S/C20H21NO4/c1-23-16-10-7-15(8-11-16)21-19-5-3-4-14-6-9-17(12-18(14)19)25-13-20(22)24-2/h6-12H,3-5,13H2,1-2H3/b21-19+
InChIKeyPVOVJBSYBFMERV-XUTLUUPISA-N
XLogP3.70
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;iridium;methanesulfonic acid;methyl 2-[[8-(4-methoxyphenyl)imino-1,5,6,7-tetrahydronaphthalen-1-id-2-yl]oxy]acetate
CID 162497286
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 162286968
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
CID 94832083
tert-butyl N-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)carbamate
CID 67498547
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 4-butoxybenzoate
CID 6090314
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
CID 86744373
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate?
The IUPAC name of methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate (CID 148980202) is methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate is COC(=O)COc1ccc2c(c1)/C(=N/c1ccc(OC)cc1)CCC2.
What is the InChIKey of methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate?
The InChIKey is PVOVJBSYBFMERV-XUTLUUPISA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-16-10-7-15(8-11-16)21-19-5-3-4-14-6-9-17(12-18(14)19)25-13-20(22)24-2/h6-12H,3-5,13H2,1-2H3/b21-19+.
What are the key properties of methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate?
methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate has a molecular weight of 339.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate is sourced from PubChem (CID 148980202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).