4-phenyl-2-propan-2-ylpent-3-enoic acid

C14H18O2 — CID 54028132

IUPAC4-phenyl-2-propan-2-ylpent-3-enoic acid
SMILESCC(=CC(C(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C14H18O2/c1-10(2)13(14(15)16)9-11(3)12-7-5-4-6-8-12/h4-10,13H,1-3H3,(H,15,16)
InChIKeyLDRAWTCFFRSWBX-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.45
Rot. Bonds4

About 4-phenyl-2-propan-2-ylpent-3-enoic acid

4-phenyl-2-propan-2-ylpent-3-enoic acid (PubChem CID 54028132) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-ylpent-3-enoic acid.

Molecular Properties

Compound Name4-phenyl-2-propan-2-ylpent-3-enoic acid
PubChem CID54028132
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-phenyl-2-propan-2-ylpent-3-enoic acid
SMILESCC(=CC(C(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C14H18O2/c1-10(2)13(14(15)16)9-11(3)12-7-5-4-6-8-12/h4-10,13H,1-3H3,(H,15,16)
InChIKeyLDRAWTCFFRSWBX-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylhex-2-en-2-ylbenzene
CID 76543432
4-phenylpent-3-en-2-one
CID 594380
benzoic acid;4-but-2-en-2-ylphenol
CID 71383513
1-iodoprop-1-en-2-ylbenzene
CID 54065087
ethane;4-phenylpent-3-en-2-one
CID 123324566
[(E)-4-ethenoxypent-2-en-2-yl]benzene
CID 134840505
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
4-phenylpent-3-ene-1,2-diol
CID 67185961
[(E,2R)-4-phenylpent-3-en-2-yl] 2,3,4,5,6-pentafluorobenzoate
CID 101254577
oxido-(3-oxobutan-2-ylimino)-[(E)-2-phenylprop-1-enyl]azanium
CID 19782430
(E,3R)-1,5-diphenylhex-4-en-3-ol
CID 15635013
1-[(Z)-4-phenylpent-3-en-2-yl]pyrrolidine
CID 66742396

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-ylpent-3-enoic acid?
The IUPAC name of 4-phenyl-2-propan-2-ylpent-3-enoic acid (CID 54028132) is 4-phenyl-2-propan-2-ylpent-3-enoic acid.
What is the SMILES notation for 4-phenyl-2-propan-2-ylpent-3-enoic acid?
The canonical SMILES for 4-phenyl-2-propan-2-ylpent-3-enoic acid is CC(=CC(C(=O)O)C(C)C)c1ccccc1.
What is the InChIKey of 4-phenyl-2-propan-2-ylpent-3-enoic acid?
The InChIKey is LDRAWTCFFRSWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)13(14(15)16)9-11(3)12-7-5-4-6-8-12/h4-10,13H,1-3H3,(H,15,16).
What are the key properties of 4-phenyl-2-propan-2-ylpent-3-enoic acid?
4-phenyl-2-propan-2-ylpent-3-enoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-ylpent-3-enoic acid is sourced from PubChem (CID 54028132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).