[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate

C27H24O5 — CID 67602093

IUPAC[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(Oc2c(-c3ccc(OC)cc3)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C27H24O5/c1-4-26(28)31-21-10-12-22(13-11-21)32-27-24(18-5-8-20(29-2)9-6-18)15-7-19-17-23(30-3)14-16-25(19)27/h5-17H,4H2,1-3H3
InChIKeyMLHKCGQDLMLMSC-UHFFFAOYSA-N
MW428.48 g/mol
LogP6.63
Rot. Bonds7

About [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate

[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate (PubChem CID 67602093) has the molecular formula C27H24O5 and a molecular weight of 428.48 g/mol. Its IUPAC name is [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate.

Molecular Properties

Compound Name[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate
PubChem CID67602093
Molecular FormulaC27H24O5
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(Oc2c(-c3ccc(OC)cc3)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C27H24O5/c1-4-26(28)31-21-10-12-22(13-11-21)32-27-24(18-5-8-20(29-2)9-6-18)15-7-19-17-23(30-3)14-16-25(19)27/h5-17H,4H2,1-3H3
InChIKeyMLHKCGQDLMLMSC-UHFFFAOYSA-N
XLogP6.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 4-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butanoate
CID 70016688
2-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602112
2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 67603232
ethyl 3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017507
2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 67603134
3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70014578
ethyl 3-[4-[2-(3-fluoro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoate
CID 70017051
propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018033
[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenyl] trifluoromethanesulfonate
CID 171446907
ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017459
(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
CID 70015260
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 70014460

Frequently Asked Questions

What is the IUPAC name of [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate?
The IUPAC name of [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate (CID 67602093) is [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate.
What is the SMILES notation for [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate?
The canonical SMILES for [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate is CCC(=O)Oc1ccc(Oc2c(-c3ccc(OC)cc3)ccc3cc(OC)ccc23)cc1.
What is the InChIKey of [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate?
The InChIKey is MLHKCGQDLMLMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O5/c1-4-26(28)31-21-10-12-22(13-11-21)32-27-24(18-5-8-20(29-2)9-6-18)15-7-19-17-23(30-3)14-16-25(19)27/h5-17H,4H2,1-3H3.
What are the key properties of [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate?
[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate has a molecular weight of 428.48 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate is sourced from PubChem (CID 67602093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).