methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate

C19H18O3 — CID 59590801

IUPACmethyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
SMILESCOC(=O)/C=C1\CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H18O3/c1-21-19(20)12-16-8-7-15-11-17(9-10-18(15)16)22-13-14-5-3-2-4-6-14/h2-6,9-12H,7-8,13H2,1H3/b16-12+
InChIKeyINEMQTZQCASFDI-FOWTUZBSSA-N
MW294.35 g/mol
LogP3.77
Rot. Bonds4

About methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate

methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate (PubChem CID 59590801) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
PubChem CID59590801
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namemethyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
SMILESCOC(=O)/C=C1\CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H18O3/c1-21-19(20)12-16-8-7-15-11-17(9-10-18(15)16)22-13-14-5-3-2-4-6-14/h2-6,9-12H,7-8,13H2,1H3/b16-12+
InChIKeyINEMQTZQCASFDI-FOWTUZBSSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
methyl 2-(2,2-dimethyl-6-phenylmethoxy-3H-inden-1-ylidene)acetate
CID 68632175
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
CID 68909509
methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 163741476
3-[(E)-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
CID 11256591
(2E)-2-(4-phenylmethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)acetic acid
CID 68770096
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate (CID 59590801) is methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate is COC(=O)/C=C1\CCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
The InChIKey is INEMQTZQCASFDI-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-19(20)12-16-8-7-15-11-17(9-10-18(15)16)22-13-14-5-3-2-4-6-14/h2-6,9-12H,7-8,13H2,1H3/b16-12+.
What are the key properties of methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate has a molecular weight of 294.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate is sourced from PubChem (CID 59590801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).