ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate

C29H26O5 — CID 70017459

IUPACethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(Oc2c(-c3cccc(OC)c3)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C29H26O5/c1-4-33-28(30)17-10-20-8-12-23(13-9-20)34-29-26(21-6-5-7-24(18-21)31-2)15-11-22-19-25(32-3)14-16-27(22)29/h5-19H,4H2,1-3H3
InChIKeyMXKQNADXTJCYFI-UHFFFAOYSA-N
MW454.52 g/mol
LogP6.89
Rot. Bonds8

About ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate

ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate (PubChem CID 70017459) has the molecular formula C29H26O5 and a molecular weight of 454.52 g/mol. Its IUPAC name is ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
PubChem CID70017459
Molecular FormulaC29H26O5
Molecular Weight454.52 g/mol
Exact Mass454.18
IUPAC Nameethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(Oc2c(-c3cccc(OC)c3)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C29H26O5/c1-4-33-28(30)17-10-20-8-12-23(13-9-20)34-29-26(21-6-5-7-24(18-21)31-2)15-11-22-19-25(32-3)14-16-27(22)29/h5-19H,4H2,1-3H3
InChIKeyMXKQNADXTJCYFI-UHFFFAOYSA-N
XLogP6.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017507
ethyl 3-[4-(2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoate
CID 70016911
(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
CID 70015260
propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018033
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70014578
[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate
CID 67602093
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 70014460
ethyl 3-[4-[2-(3-fluoro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoate
CID 70017051
butyl (E)-3-[3-(3-methoxyphenyl)phenyl]prop-2-enoate
CID 102391690
ethyl (E)-3-[2-[3-formyl-4-(3-methylphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342690
2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
CID 70231169

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate (CID 70017459) is ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(Oc2c(-c3cccc(OC)c3)ccc3cc(OC)ccc23)cc1.
What is the InChIKey of ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate?
The InChIKey is MXKQNADXTJCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O5/c1-4-33-28(30)17-10-20-8-12-23(13-9-20)34-29-26(21-6-5-7-24(18-21)31-2)15-11-22-19-25(32-3)14-16-27(22)29/h5-19H,4H2,1-3H3.
What are the key properties of ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate?
ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate has a molecular weight of 454.52 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate is sourced from PubChem (CID 70017459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).