(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid

C20H20O4 — CID 68909509

IUPAC(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
SMILESCCO/C(C(=O)O)=C1/CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H20O4/c1-2-23-19(20(21)22)18-10-8-15-12-16(9-11-17(15)18)24-13-14-6-4-3-5-7-14/h3-7,9,11-12H,2,8,10,13H2,1H3,(H,21,22)/b19-18-
InChIKeyLOZRNFSNJIOXBY-HNENSFHCSA-N
MW324.38 g/mol
LogP4.04
Rot. Bonds6

About (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid

(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid (PubChem CID 68909509) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
PubChem CID68909509
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid
SMILESCCO/C(C(=O)O)=C1/CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H20O4/c1-2-23-19(20(21)22)18-10-8-15-12-16(9-11-17(15)18)24-13-14-6-4-3-5-7-14/h3-7,9,11-12H,2,8,10,13H2,1H3,(H,21,22)/b19-18-
InChIKeyLOZRNFSNJIOXBY-HNENSFHCSA-N
XLogP4.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
ethyl 1-methyl-7-phenylmethoxy-3,4-dihydronaphthalene-2-carboxylate
CID 163766107
ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 23111685
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate
CID 135245038
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid?
The IUPAC name of (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid (CID 68909509) is (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid is CCO/C(C(=O)O)=C1/CCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid?
The InChIKey is LOZRNFSNJIOXBY-HNENSFHCSA-N. The full InChI is InChI=1S/C20H20O4/c1-2-23-19(20(21)22)18-10-8-15-12-16(9-11-17(15)18)24-13-14-6-4-3-5-7-14/h3-7,9,11-12H,2,8,10,13H2,1H3,(H,21,22)/b19-18-.
What are the key properties of (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid?
(2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid has a molecular weight of 324.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethoxy-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetic acid is sourced from PubChem (CID 68909509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).