4-phenylhex-4-enoic acid

C12H14O2 — CID 67746450

IUPAC4-phenylhex-4-enoic acid
SMILESCC=C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-10(8-9-12(13)14)11-6-4-3-5-7-11/h2-7H,8-9H2,1H3,(H,13,14)
InChIKeyBJGZHLXKVYXBHA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.95
Rot. Bonds4

About 4-phenylhex-4-enoic acid

4-phenylhex-4-enoic acid (PubChem CID 67746450) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-phenylhex-4-enoic acid.

Molecular Properties

Compound Name4-phenylhex-4-enoic acid
PubChem CID67746450
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-phenylhex-4-enoic acid
SMILESCC=C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-10(8-9-12(13)14)11-6-4-3-5-7-11/h2-7H,8-9H2,1H3,(H,13,14)
InChIKeyBJGZHLXKVYXBHA-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenylhex-4-enoic acid?
The IUPAC name of 4-phenylhex-4-enoic acid (CID 67746450) is 4-phenylhex-4-enoic acid.
What is the SMILES notation for 4-phenylhex-4-enoic acid?
The canonical SMILES for 4-phenylhex-4-enoic acid is CC=C(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-phenylhex-4-enoic acid?
The InChIKey is BJGZHLXKVYXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-10(8-9-12(13)14)11-6-4-3-5-7-11/h2-7H,8-9H2,1H3,(H,13,14).
What are the key properties of 4-phenylhex-4-enoic acid?
4-phenylhex-4-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylhex-4-enoic acid is sourced from PubChem (CID 67746450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).