[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate

C31H26O5 — CID 10576619

IUPAC[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate
SMILESCOc1ccc2cc(/C=C/c3ccc(OC(C)=O)cc3)ccc2c1/C=C/c1ccc(OC(C)=O)cc1
InChIInChI=1S/C31H26O5/c1-21(32)35-27-13-6-23(7-14-27)4-5-25-11-17-29-26(20-25)12-19-31(34-3)30(29)18-10-24-8-15-28(16-9-24)36-22(2)33/h4-20H,1-3H3/b5-4+,18-10+
InChIKeyVZLAAVVCVHAMHE-NBGMOQMUSA-N
MW478.54 g/mol
LogP7.04
Rot. Bonds7

About [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate

[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate (PubChem CID 10576619) has the molecular formula C31H26O5 and a molecular weight of 478.54 g/mol. Its IUPAC name is [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate
PubChem CID10576619
Molecular FormulaC31H26O5
Molecular Weight478.54 g/mol
Exact Mass478.18
IUPAC Name[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate
SMILESCOc1ccc2cc(/C=C/c3ccc(OC(C)=O)cc3)ccc2c1/C=C/c1ccc(OC(C)=O)cc1
InChIInChI=1S/C31H26O5/c1-21(32)35-27-13-6-23(7-14-27)4-5-25-11-17-29-26(20-25)12-19-31(34-3)30(29)18-10-24-8-15-28(16-9-24)36-22(2)33/h4-20H,1-3H3/b5-4+,18-10+
InChIKeyVZLAAVVCVHAMHE-NBGMOQMUSA-N
XLogP7.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-propoxynaphthalen-2-yl]ethenyl]phenyl] acetate
CID 11799736
(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
CID 19871375
[4-[3-[2-acetyloxy-4-methoxy-3-(3-methylbuta-1,3-dienyl)phenyl]-3-oxoprop-1-enyl]phenyl] acetate
CID 141105071
(E)-3-(5-formyl-6-methoxynaphthalen-2-yl)prop-2-enoic acid
CID 155369741
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
(1-tert-butyl-6-methoxynaphthalen-2-yl) acetate
CID 172766111
[4-[(E)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-enyl]phenyl] acetate
CID 90670908
(3,4-dimethoxyphenyl) acetate
CID 593001
6-[(Z)-2-(4-methoxyphenyl)ethenyl]-20-[(E)-2-(4-methoxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 156516466
[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 59301729

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate?
The IUPAC name of [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate (CID 10576619) is [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate is COc1ccc2cc(/C=C/c3ccc(OC(C)=O)cc3)ccc2c1/C=C/c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate?
The InChIKey is VZLAAVVCVHAMHE-NBGMOQMUSA-N. The full InChI is InChI=1S/C31H26O5/c1-21(32)35-27-13-6-23(7-14-27)4-5-25-11-17-29-26(20-25)12-19-31(34-3)30(29)18-10-24-8-15-28(16-9-24)36-22(2)33/h4-20H,1-3H3/b5-4+,18-10+.
What are the key properties of [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate?
[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate has a molecular weight of 478.54 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate is sourced from PubChem (CID 10576619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).