[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate

C32H28O8 — CID 144761458

IUPAC[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3cc(OCCOc4ccc(OC)c(OC(=O)C=C)c4)ccc3c2)c(OC)c1
InChIInChI=1S/C32H28O8/c1-5-31(33)39-26-11-13-27(29(20-26)36-4)23-8-7-22-18-24(10-9-21(22)17-23)37-15-16-38-25-12-14-28(35-3)30(19-25)40-32(34)6-2/h5-14,17-20H,1-2,15-16H2,3-4H3
InChIKeyLOXBQSVASSISTH-UHFFFAOYSA-N
MW540.57 g/mol
LogP6.16
Rot. Bonds12

About [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate

[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate (PubChem CID 144761458) has the molecular formula C32H28O8 and a molecular weight of 540.57 g/mol. Its IUPAC name is [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate
PubChem CID144761458
Molecular FormulaC32H28O8
Molecular Weight540.57 g/mol
Exact Mass540.18
IUPAC Name[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3cc(OCCOc4ccc(OC)c(OC(=O)C=C)c4)ccc3c2)c(OC)c1
InChIInChI=1S/C32H28O8/c1-5-31(33)39-26-11-13-27(29(20-26)36-4)23-8-7-22-18-24(10-9-21(22)17-23)37-15-16-38-25-12-14-28(35-3)30(19-25)40-32(34)6-2/h5-14,17-20H,1-2,15-16H2,3-4H3
InChIKeyLOXBQSVASSISTH-UHFFFAOYSA-N
XLogP6.16
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-[6-[2-[3,4-di(prop-2-enoyloxy)phenoxy]ethoxy]naphthalen-2-yl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 122424873
[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118283041
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
ethane;[4-[3-methoxy-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate;prop-2-enal
CID 144772034
2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 163298238
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[4-methoxy-2-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl] prop-2-enoate
CID 144772005
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
[3-methoxy-4-[6-(prop-2-enoyloxymethoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(prop-2-enoyloxymethoxy)naphthalene-2-carboxylate
CID 59181128
[4-[4-[2-[3,5-di(prop-2-enoyloxy)phenoxy]ethoxy]phenyl]phenyl] prop-2-enoate
CID 144902457
[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 137445339
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate?
The IUPAC name of [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate (CID 144761458) is [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate.
What is the SMILES notation for [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate?
The canonical SMILES for [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc3cc(OCCOc4ccc(OC)c(OC(=O)C=C)c4)ccc3c2)c(OC)c1.
What is the InChIKey of [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate?
The InChIKey is LOXBQSVASSISTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O8/c1-5-31(33)39-26-11-13-27(29(20-26)36-4)23-8-7-22-18-24(10-9-21(22)17-23)37-15-16-38-25-12-14-28(35-3)30(19-25)40-32(34)6-2/h5-14,17-20H,1-2,15-16H2,3-4H3.
What are the key properties of [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate?
[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate has a molecular weight of 540.57 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 144761458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).