4-(4-pent-1-enoxyphenyl)benzoic acid

C18H18O3 — CID 57036300

IUPAC4-(4-pent-1-enoxyphenyl)benzoic acid
SMILESCCCC=COc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H18O3/c1-2-3-4-13-21-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(19)20/h4-13H,2-3H2,1H3,(H,19,20)
InChIKeyXLEMVKXEWUYCKO-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.74
Rot. Bonds6

About 4-(4-pent-1-enoxyphenyl)benzoic acid

4-(4-pent-1-enoxyphenyl)benzoic acid (PubChem CID 57036300) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(4-pent-1-enoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-pent-1-enoxyphenyl)benzoic acid
PubChem CID57036300
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-(4-pent-1-enoxyphenyl)benzoic acid
SMILESCCCC=COc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H18O3/c1-2-3-4-13-21-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(19)20/h4-13H,2-3H2,1H3,(H,19,20)
InChIKeyXLEMVKXEWUYCKO-UHFFFAOYSA-N
XLogP4.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-pent-1-enoxybenzoyl chloride
CID 139792232
4-pent-1-enoxycarbonylbenzoic acid
CID 139900322
butanal;terephthalic acid
CID 174990552
4-(4-decoxyphenyl)benzoic acid;(Z)-icos-5-enoic acid
CID 70199165
[4-[(E)-undec-1-enoxy]phenyl] 4-[4-[(2S)-2-methylbutoxy]phenyl]benzoate
CID 67948554
6-[4-(6-carboxynaphthalen-2-yl)oxybut-3-enoxy]naphthalene-2-carboxylic acid
CID 162690447
N-pent-1-enyl-4-phenylbenzamide
CID 67329304
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
ethane;4-phenylbenzoic acid;propane
CID 156791718
[4-[(E)-non-1-enoxy]phenyl] 4-[4-[(3S)-3-methylpentyl]phenyl]benzoate
CID 67948689
1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene
CID 175227501

Frequently Asked Questions

What is the IUPAC name of 4-(4-pent-1-enoxyphenyl)benzoic acid?
The IUPAC name of 4-(4-pent-1-enoxyphenyl)benzoic acid (CID 57036300) is 4-(4-pent-1-enoxyphenyl)benzoic acid.
What is the SMILES notation for 4-(4-pent-1-enoxyphenyl)benzoic acid?
The canonical SMILES for 4-(4-pent-1-enoxyphenyl)benzoic acid is CCCC=COc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-pent-1-enoxyphenyl)benzoic acid?
The InChIKey is XLEMVKXEWUYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-3-4-13-21-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(19)20/h4-13H,2-3H2,1H3,(H,19,20).
What are the key properties of 4-(4-pent-1-enoxyphenyl)benzoic acid?
4-(4-pent-1-enoxyphenyl)benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pent-1-enoxyphenyl)benzoic acid is sourced from PubChem (CID 57036300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).