6-phenyloct-7-enoic acid

C14H18O2 — CID 118941596

IUPAC6-phenyloct-7-enoic acid
SMILESC=CC(CCCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-12(8-6-7-11-14(15)16)13-9-4-3-5-10-13/h2-5,9-10,12H,1,6-8,11H2,(H,15,16)
InChIKeyHPCZAGXHRZHDCH-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.60
Rot. Bonds7

About 6-phenyloct-7-enoic acid

6-phenyloct-7-enoic acid (PubChem CID 118941596) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-phenyloct-7-enoic acid.

Molecular Properties

Compound Name6-phenyloct-7-enoic acid
PubChem CID118941596
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name6-phenyloct-7-enoic acid
SMILESC=CC(CCCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-12(8-6-7-11-14(15)16)13-9-4-3-5-10-13/h2-5,9-10,12H,1,6-8,11H2,(H,15,16)
InChIKeyHPCZAGXHRZHDCH-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylhex-5-enoate
CID 140706037
(3S)-3-phenylpent-4-enoic acid
CID 92981953
6-fluoro-6-phenylhexanoic acid
CID 70054294
2-phenyloctadecanedioic acid
CID 23016344
5-phenylnonanedioic acid
CID 54103206
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
11-phenyloctadecanoic acid
CID 101320092
6-phenyloctadecanoic acid
CID 56981512
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
4-methyl-4-(3-phenylpent-4-enoylamino)pentanoic acid
CID 120519395
5-bromo-5-phenylpentanoic acid
CID 174858341

Frequently Asked Questions

What is the IUPAC name of 6-phenyloct-7-enoic acid?
The IUPAC name of 6-phenyloct-7-enoic acid (CID 118941596) is 6-phenyloct-7-enoic acid.
What is the SMILES notation for 6-phenyloct-7-enoic acid?
The canonical SMILES for 6-phenyloct-7-enoic acid is C=CC(CCCCC(=O)O)c1ccccc1.
What is the InChIKey of 6-phenyloct-7-enoic acid?
The InChIKey is HPCZAGXHRZHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-12(8-6-7-11-14(15)16)13-9-4-3-5-10-13/h2-5,9-10,12H,1,6-8,11H2,(H,15,16).
What are the key properties of 6-phenyloct-7-enoic acid?
6-phenyloct-7-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyloct-7-enoic acid is sourced from PubChem (CID 118941596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).