2-methylidene-5-(3-phenoxypropoxy)pentanoic acid

C15H20O4 — CID 70178682

IUPAC2-methylidene-5-(3-phenoxypropoxy)pentanoic acid
SMILESC=C(CCCOCCCOc1ccccc1)C(=O)O
InChIInChI=1S/C15H20O4/c1-13(15(16)17)7-5-10-18-11-6-12-19-14-8-3-2-4-9-14/h2-4,8-9H,1,5-7,10-12H2,(H,16,17)
InChIKeyTWWGUBHYCUNJEJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.89
Rot. Bonds10

About 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid

2-methylidene-5-(3-phenoxypropoxy)pentanoic acid (PubChem CID 70178682) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid.

Molecular Properties

Compound Name2-methylidene-5-(3-phenoxypropoxy)pentanoic acid
PubChem CID70178682
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-methylidene-5-(3-phenoxypropoxy)pentanoic acid
SMILESC=C(CCCOCCCOc1ccccc1)C(=O)O
InChIInChI=1S/C15H20O4/c1-13(15(16)17)7-5-10-18-11-6-12-19-14-8-3-2-4-9-14/h2-4,8-9H,1,5-7,10-12H2,(H,16,17)
InChIKeyTWWGUBHYCUNJEJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methylidene-9-phenoxynonanoic acid
CID 57103859
2-methylidene-9-(4-phenylphenoxy)nonanoic acid
CID 118914936
2-methylidene-5-[4-(2-phenylpropan-2-yl)phenoxy]pentanoic acid
CID 66823070
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1-ethenylpyrrolidin-2-one;2-methylidene-5-phenoxypentanoic acid
CID 118870945
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
9-phenoxynonanoic acid
CID 15887638
9-[4-(4-cyanophenyl)phenoxy]-2-methylidenenonanoic acid
CID 66973505
2-(4-phenoxybutoxy)acetamide
CID 122703944
5-methoxycarbonylhexa-2,5-dienoic acid;2-methylidene-4-phenoxybutanoic acid
CID 67395118

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid?
The IUPAC name of 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid (CID 70178682) is 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid.
What is the SMILES notation for 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid?
The canonical SMILES for 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid is C=C(CCCOCCCOc1ccccc1)C(=O)O.
What is the InChIKey of 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid?
The InChIKey is TWWGUBHYCUNJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-13(15(16)17)7-5-10-18-11-6-12-19-14-8-3-2-4-9-14/h2-4,8-9H,1,5-7,10-12H2,(H,16,17).
What are the key properties of 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid?
2-methylidene-5-(3-phenoxypropoxy)pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-(3-phenoxypropoxy)pentanoic acid is sourced from PubChem (CID 70178682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).