pent-1-en-3-yl 2-hydroxybenzoate

C12H14O3 — CID 11701252

IUPACpent-1-en-3-yl 2-hydroxybenzoate
SMILESC=CC(CC)OC(=O)c1ccccc1O
InChIInChI=1S/C12H14O3/c1-3-9(4-2)15-12(14)10-7-5-6-8-11(10)13/h3,5-9,13H,1,4H2,2H3
InChIKeyFCLNRVPQPYTAIQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.51
Rot. Bonds4

About pent-1-en-3-yl 2-hydroxybenzoate

pent-1-en-3-yl 2-hydroxybenzoate (PubChem CID 11701252) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is pent-1-en-3-yl 2-hydroxybenzoate.

Molecular Properties

Compound Namepent-1-en-3-yl 2-hydroxybenzoate
PubChem CID11701252
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namepent-1-en-3-yl 2-hydroxybenzoate
SMILESC=CC(CC)OC(=O)c1ccccc1O
InChIInChI=1S/C12H14O3/c1-3-9(4-2)15-12(14)10-7-5-6-8-11(10)13/h3,5-9,13H,1,4H2,2H3
InChIKeyFCLNRVPQPYTAIQ-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpropyl 2-hydroxybenzoate
CID 101286985
[(3S)-pent-1-en-3-yl] 6-methylpyridine-2-carboxylate
CID 99851419
ethene;ethenyl 2-hydroxybenzoate
CID 159926426
acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate
CID 174870580
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
CID 23654554
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
1-phenylpropan-2-yl 2-hydroxybenzoate
CID 139897029
bis(1-ethenoxybutyl) benzene-1,2-dicarboxylate
CID 175289007
3-(2-nitrobenzoyl)oxypent-4-enoic acid
CID 167547638
pent-1-en-3-yl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
CID 167321614
(2-amino-1-sulfanylethyl) 2-hydroxybenzoate
CID 140650856

Frequently Asked Questions

What is the IUPAC name of pent-1-en-3-yl 2-hydroxybenzoate?
The IUPAC name of pent-1-en-3-yl 2-hydroxybenzoate (CID 11701252) is pent-1-en-3-yl 2-hydroxybenzoate.
What is the SMILES notation for pent-1-en-3-yl 2-hydroxybenzoate?
The canonical SMILES for pent-1-en-3-yl 2-hydroxybenzoate is C=CC(CC)OC(=O)c1ccccc1O.
What is the InChIKey of pent-1-en-3-yl 2-hydroxybenzoate?
The InChIKey is FCLNRVPQPYTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-9(4-2)15-12(14)10-7-5-6-8-11(10)13/h3,5-9,13H,1,4H2,2H3.
What are the key properties of pent-1-en-3-yl 2-hydroxybenzoate?
pent-1-en-3-yl 2-hydroxybenzoate has a molecular weight of 206.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-3-yl 2-hydroxybenzoate is sourced from PubChem (CID 11701252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).