10-(4-methylphenyl)decanoic acid

C17H26O2 — CID 54262490

IUPAC10-(4-methylphenyl)decanoic acid
SMILESCc1ccc(CCCCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H26O2/c1-15-11-13-16(14-12-15)9-7-5-3-2-4-6-8-10-17(18)19/h11-14H,2-10H2,1H3,(H,18,19)
InChIKeyREMIMRMJBSWKLM-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds10

About 10-(4-methylphenyl)decanoic acid

10-(4-methylphenyl)decanoic acid (PubChem CID 54262490) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 10-(4-methylphenyl)decanoic acid.

Molecular Properties

Compound Name10-(4-methylphenyl)decanoic acid
PubChem CID54262490
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name10-(4-methylphenyl)decanoic acid
SMILESCc1ccc(CCCCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H26O2/c1-15-11-13-16(14-12-15)9-7-5-3-2-4-6-8-10-17(18)19/h11-14H,2-10H2,1H3,(H,18,19)
InChIKeyREMIMRMJBSWKLM-UHFFFAOYSA-N
XLogP4.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecanedioic acid;1,4-xylene
CID 66586315
6-(4-methylphenyl)hexanethioic S-acid
CID 177221439
4-[4-[2-(4-methylphenyl)ethynyl]phenyl]butanoic acid
CID 154693938
15-phenylpentadecanoic acid
CID 2737151
6-(4-fluorophenyl)hexanoic acid
CID 14739735
7-(4-iodophenyl)heptanoic acid
CID 177483295
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269
hexanoic acid;1,4-xylene
CID 23205671
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736

Frequently Asked Questions

What is the IUPAC name of 10-(4-methylphenyl)decanoic acid?
The IUPAC name of 10-(4-methylphenyl)decanoic acid (CID 54262490) is 10-(4-methylphenyl)decanoic acid.
What is the SMILES notation for 10-(4-methylphenyl)decanoic acid?
The canonical SMILES for 10-(4-methylphenyl)decanoic acid is Cc1ccc(CCCCCCCCCC(=O)O)cc1.
What is the InChIKey of 10-(4-methylphenyl)decanoic acid?
The InChIKey is REMIMRMJBSWKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-15-11-13-16(14-12-15)9-7-5-3-2-4-6-8-10-17(18)19/h11-14H,2-10H2,1H3,(H,18,19).
What are the key properties of 10-(4-methylphenyl)decanoic acid?
10-(4-methylphenyl)decanoic acid has a molecular weight of 262.39 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylphenyl)decanoic acid is sourced from PubChem (CID 54262490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).