2-methoxy-3-phenylundec-2-enoic acid

C18H26O3 — CID 54315676

IUPAC2-methoxy-3-phenylundec-2-enoic acid
SMILESCCCCCCCCC(=C(OC)C(=O)O)c1ccccc1
InChIInChI=1S/C18H26O3/c1-3-4-5-6-7-11-14-16(17(21-2)18(19)20)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3,(H,19,20)
InChIKeySNZLFTJKILZFKF-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.88
Rot. Bonds10

About 2-methoxy-3-phenylundec-2-enoic acid

2-methoxy-3-phenylundec-2-enoic acid (PubChem CID 54315676) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-methoxy-3-phenylundec-2-enoic acid.

Molecular Properties

Compound Name2-methoxy-3-phenylundec-2-enoic acid
PubChem CID54315676
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-methoxy-3-phenylundec-2-enoic acid
SMILESCCCCCCCCC(=C(OC)C(=O)O)c1ccccc1
InChIInChI=1S/C18H26O3/c1-3-4-5-6-7-11-14-16(17(21-2)18(19)20)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3,(H,19,20)
InChIKeySNZLFTJKILZFKF-UHFFFAOYSA-N
XLogP4.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-phenylheptylidene)propanedioic acid
CID 90121852
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
1-phenylheptadecan-1-one
CID 577626
methyl benzoate;undecan-6-one
CID 174958584
2-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341
10-phenyloctadec-9-en-9-amine
CID 140615449
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
(Z)-3-methyl-2-phenylundec-2-enoic acid
CID 152642360
2-benzhydrylidenedecanoic acid
CID 174668181
hexadecanoyl benzoate
CID 57040691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenylundec-2-enoic acid?
The IUPAC name of 2-methoxy-3-phenylundec-2-enoic acid (CID 54315676) is 2-methoxy-3-phenylundec-2-enoic acid.
What is the SMILES notation for 2-methoxy-3-phenylundec-2-enoic acid?
The canonical SMILES for 2-methoxy-3-phenylundec-2-enoic acid is CCCCCCCCC(=C(OC)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methoxy-3-phenylundec-2-enoic acid?
The InChIKey is SNZLFTJKILZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-4-5-6-7-11-14-16(17(21-2)18(19)20)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14H2,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-3-phenylundec-2-enoic acid?
2-methoxy-3-phenylundec-2-enoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenylundec-2-enoic acid is sourced from PubChem (CID 54315676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).