(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid

C28H24O5 — CID 70015260

IUPAC(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
SMILESCOc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(/C=C/CC(=O)O)cc2)c1
InChIInChI=1S/C28H24O5/c1-31-23-7-4-6-20(17-23)25-15-11-21-18-24(32-2)14-16-26(21)28(25)33-22-12-9-19(10-13-22)5-3-8-27(29)30/h3-7,9-18H,8H2,1-2H3,(H,29,30)/b5-3+
InChIKeyJFLJPXYNKACATK-HWKANZROSA-N
MW440.50 g/mol
LogP6.80
Rot. Bonds8

About (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid

(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid (PubChem CID 70015260) has the molecular formula C28H24O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
PubChem CID70015260
Molecular FormulaC28H24O5
Molecular Weight440.50 g/mol
Exact Mass440.16
IUPAC Name(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
SMILESCOc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(/C=C/CC(=O)O)cc2)c1
InChIInChI=1S/C28H24O5/c1-31-23-7-4-6-20(17-23)25-15-11-21-18-24(32-2)14-16-26(21)28(25)33-22-12-9-19(10-13-22)5-3-8-27(29)30/h3-7,9-18H,8H2,1-2H3,(H,29,30)/b5-3+
InChIKeyJFLJPXYNKACATK-HWKANZROSA-N
XLogP6.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid with MolForge

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Related Compounds

ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017459
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 70014460
4-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]oxyphenyl]but-3-enoic acid
CID 70014882
3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70014578
propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018033
2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
CID 70231169
2-[4-[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602790
ethyl 3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017507
[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate
CID 67602093
2-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602112
ethyl 3-[4-(2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoate
CID 70016911
3-[4-[2-(3-chloro-4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70015594

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid?
The IUPAC name of (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid (CID 70015260) is (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid.
What is the SMILES notation for (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid?
The canonical SMILES for (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid is COc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(/C=C/CC(=O)O)cc2)c1.
What is the InChIKey of (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid?
The InChIKey is JFLJPXYNKACATK-HWKANZROSA-N. The full InChI is InChI=1S/C28H24O5/c1-31-23-7-4-6-20(17-23)25-15-11-21-18-24(32-2)14-16-26(21)28(25)33-22-12-9-19(10-13-22)5-3-8-27(29)30/h3-7,9-18H,8H2,1-2H3,(H,29,30)/b5-3+.
What are the key properties of (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid?
(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid has a molecular weight of 440.50 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid is sourced from PubChem (CID 70015260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).