propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate

C30H30O5 — CID 70018033

IUPACpropyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
SMILESCCCOC(=O)CCc1ccc(Oc2c(-c3cccc(OC)c3)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C30H30O5/c1-4-18-34-29(31)17-10-21-8-12-24(13-9-21)35-30-27(22-6-5-7-25(19-22)32-2)15-11-23-20-26(33-3)14-16-28(23)30/h5-9,11-16,19-20H,4,10,17-18H2,1-3H3
InChIKeyYIUSRTFEZYXKBC-UHFFFAOYSA-N
MW470.57 g/mol
LogP7.20
Rot. Bonds10

About propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate

propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate (PubChem CID 70018033) has the molecular formula C30H30O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate.

Molecular Properties

Compound Namepropyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
PubChem CID70018033
Molecular FormulaC30H30O5
Molecular Weight470.57 g/mol
Exact Mass470.21
IUPAC Namepropyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
SMILESCCCOC(=O)CCc1ccc(Oc2c(-c3cccc(OC)c3)ccc3cc(OC)ccc23)cc1
InChIInChI=1S/C30H30O5/c1-4-18-34-29(31)17-10-21-8-12-24(13-9-21)35-30-27(22-6-5-7-25(19-22)32-2)15-11-23-20-26(33-3)14-16-28(23)30/h5-9,11-16,19-20H,4,10,17-18H2,1-3H3
InChIKeyYIUSRTFEZYXKBC-UHFFFAOYSA-N
XLogP7.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018001
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
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
(4-methylphenyl) 4-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butanoate
CID 70016688
2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
CID 70231169
2-(diethylamino)ethyl 3-(6-methoxynaphthalen-2-yl)propanoate
CID 156854026
2-[4-[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602790
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267

Frequently Asked Questions

What is the IUPAC name of propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
The IUPAC name of propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate (CID 70018033) is propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate.
What is the SMILES notation for propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
The canonical SMILES for propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate is CCCOC(=O)CCc1ccc(Oc2c(-c3cccc(OC)c3)ccc3cc(OC)ccc23)cc1.
What is the InChIKey of propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
The InChIKey is YIUSRTFEZYXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O5/c1-4-18-34-29(31)17-10-21-8-12-24(13-9-21)35-30-27(22-6-5-7-25(19-22)32-2)15-11-23-20-26(33-3)14-16-28(23)30/h5-9,11-16,19-20H,4,10,17-18H2,1-3H3.
What are the key properties of propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate has a molecular weight of 470.57 g/mol, XLogP of 7.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate is sourced from PubChem (CID 70018033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).