methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate

C19H18O2 — CID 82543772

IUPACmethyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate
SMILESCOC(=O)/C=C1\CCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H18O2/c1-21-19(20)13-17-9-5-8-15-10-11-16(12-18(15)17)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3/b17-13+
InChIKeyJGHLGEYOBCKPLN-GHRIWEEISA-N
MW278.35 g/mol
LogP4.25
Rot. Bonds2

About methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate

methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate (PubChem CID 82543772) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate
PubChem CID82543772
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Namemethyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate
SMILESCOC(=O)/C=C1\CCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H18O2/c1-21-19(20)13-17-9-5-8-15-10-11-16(12-18(15)17)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3/b17-13+
InChIKeyJGHLGEYOBCKPLN-GHRIWEEISA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E)-2-[7-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-naphthalen-1-ylidene]acetate
CID 110447239
(2E)-2-(7-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 82544245
methyl (2E)-2-[(2Z)-2-benzylidenecyclohexylidene]acetate
CID 101066852
N-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 58794270
methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
CID 115466743
2-(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-N-phenylacetamide
CID 54411867
(1E)-1-(3,4-dihydro-2H-naphthalen-1-ylidene)propan-2-one
CID 142003176
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
CID 132566202
(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide
CID 89186120
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
5,13-diphenyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163494691
6-methyl-3-(3-phenylphenyl)-8,9-dihydrobenzo[7]annulen-5-one
CID 123306825

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate (CID 82543772) is methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate is COC(=O)/C=C1\CCCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate?
The InChIKey is JGHLGEYOBCKPLN-GHRIWEEISA-N. The full InChI is InChI=1S/C19H18O2/c1-21-19(20)13-17-9-5-8-15-10-11-16(12-18(15)17)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3/b17-13+.
What are the key properties of methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate?
methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate has a molecular weight of 278.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate is sourced from PubChem (CID 82543772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).