3-(3-hex-1-enylphenyl)prop-2-enoic acid

C15H18O2 — CID 57256540

IUPAC3-(3-hex-1-enylphenyl)prop-2-enoic acid
SMILESCCCCC=Cc1cccc(C=CC(=O)O)c1
InChIInChI=1S/C15H18O2/c1-2-3-4-5-7-13-8-6-9-14(12-13)10-11-15(16)17/h5-12H,2-4H2,1H3,(H,16,17)
InChIKeyHWVVHJFAIBFJHG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.99
Rot. Bonds6

About 3-(3-hex-1-enylphenyl)prop-2-enoic acid

3-(3-hex-1-enylphenyl)prop-2-enoic acid (PubChem CID 57256540) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(3-hex-1-enylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-hex-1-enylphenyl)prop-2-enoic acid
PubChem CID57256540
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(3-hex-1-enylphenyl)prop-2-enoic acid
SMILESCCCCC=Cc1cccc(C=CC(=O)O)c1
InChIInChI=1S/C15H18O2/c1-2-3-4-5-7-13-8-6-9-14(12-13)10-11-15(16)17/h5-12H,2-4H2,1H3,(H,16,17)
InChIKeyHWVVHJFAIBFJHG-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 3-(3-hex-1-enylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(3-hex-1-enylphenyl)prop-2-enoic acid (CID 57256540) is 3-(3-hex-1-enylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-hex-1-enylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(3-hex-1-enylphenyl)prop-2-enoic acid is CCCCC=Cc1cccc(C=CC(=O)O)c1.
What is the InChIKey of 3-(3-hex-1-enylphenyl)prop-2-enoic acid?
The InChIKey is HWVVHJFAIBFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-4-5-7-13-8-6-9-14(12-13)10-11-15(16)17/h5-12H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-(3-hex-1-enylphenyl)prop-2-enoic acid?
3-(3-hex-1-enylphenyl)prop-2-enoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hex-1-enylphenyl)prop-2-enoic acid is sourced from PubChem (CID 57256540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).