tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

C34H58O4 — CID 162869680

IUPACtetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-33(37-2)32(35)30-31/h25-28,30,35H,3-24,29H2,1-2H3
InChIKeyNHUMAIWIOFKIGU-UHFFFAOYSA-N
MW530.83 g/mol
LogP10.56
Rot. Bonds26

About tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate (PubChem CID 162869680) has the molecular formula C34H58O4 and a molecular weight of 530.83 g/mol. Its IUPAC name is tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nametetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
PubChem CID162869680
Molecular FormulaC34H58O4
Molecular Weight530.83 g/mol
Exact Mass530.43
IUPAC Nametetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-33(37-2)32(35)30-31/h25-28,30,35H,3-24,29H2,1-2H3
InChIKeyNHUMAIWIOFKIGU-UHFFFAOYSA-N
XLogP10.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.83
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

28-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyloxy]octacosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 163069021
octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5320256
icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6440080
pentacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163044714
nonadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 101186931
pentadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11407056
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
heptyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 12034742
decyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71391747
tricosyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 162975742

Frequently Asked Questions

What is the IUPAC name of tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate?
The IUPAC name of tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate (CID 162869680) is tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate is CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(OC)c(O)c1.
What is the InChIKey of tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate?
The InChIKey is NHUMAIWIOFKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-33(37-2)32(35)30-31/h25-28,30,35H,3-24,29H2,1-2H3.
What are the key properties of tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate?
tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate has a molecular weight of 530.83 g/mol, XLogP of 10.56, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 162869680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).