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

C18H15O3- — CID 23111685

IUPAC(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
SMILESO=C([O-])/C=C1\CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H16O3/c19-18(20)11-15-7-6-14-10-16(8-9-17(14)15)21-12-13-4-2-1-3-5-13/h1-5,8-11H,6-7,12H2,(H,19,20)/p-1/b15-11+
InChIKeyZOZNCURPDHERFV-RVDMUPIBSA-M
MW279.31 g/mol
LogP2.35
Rot. Bonds4

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

(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate (PubChem CID 23111685) has the molecular formula C18H15O3- and a molecular weight of 279.31 g/mol. Its IUPAC name is (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate.

Molecular Properties

Compound Name(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
PubChem CID23111685
Molecular FormulaC18H15O3-
Molecular Weight279.31 g/mol
Exact Mass279.10
IUPAC Name(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
SMILESO=C([O-])/C=C1\CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H16O3/c19-18(20)11-15-7-6-14-10-16(8-9-17(14)15)21-12-13-4-2-1-3-5-13/h1-5,8-11H,6-7,12H2,(H,19,20)/p-1/b15-11+
InChIKeyZOZNCURPDHERFV-RVDMUPIBSA-M
XLogP2.35
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.35
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

methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
2-(cyclobutylmethylidene)-6-phenylmethoxy-3,4-dihydronaphthalen-1-one
CID 170649253
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
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
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
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
(6-phenylmethoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 129096575
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde;phosphoryl trichloride
CID 139438489

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
The IUPAC name of (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate (CID 23111685) is (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate.
What is the SMILES notation for (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
The canonical SMILES for (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate is O=C([O-])/C=C1\CCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
The InChIKey is ZOZNCURPDHERFV-RVDMUPIBSA-M. The full InChI is InChI=1S/C18H16O3/c19-18(20)11-15-7-6-14-10-16(8-9-17(14)15)21-12-13-4-2-1-3-5-13/h1-5,8-11H,6-7,12H2,(H,19,20)/p-1/b15-11+.
What are the key properties of (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate?
(2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate has a molecular weight of 279.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate is sourced from PubChem (CID 23111685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).