propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate

C14H18O4 — CID 142663411

IUPACpropan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
SMILESC=CCc1cc(OC)c(O)c(C(=O)OC(C)C)c1
InChIInChI=1S/C14H18O4/c1-5-6-10-7-11(14(16)18-9(2)3)13(15)12(8-10)17-4/h5,7-9,15H,1,6H2,2-4H3
InChIKeyQRZVEHBFIMXPFI-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.69
Rot. Bonds5

About propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate

propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate (PubChem CID 142663411) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
PubChem CID142663411
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namepropan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
SMILESC=CCc1cc(OC)c(O)c(C(=O)OC(C)C)c1
InChIInChI=1S/C14H18O4/c1-5-6-10-7-11(14(16)18-9(2)3)13(15)12(8-10)17-4/h5,7-9,15H,1,6H2,2-4H3
InChIKeyQRZVEHBFIMXPFI-UHFFFAOYSA-N
XLogP2.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
2,6-dimethoxy-4-prop-2-enylbenzoic acid
CID 175319982
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
CID 51136382
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
(1R,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
CID 46834546
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate?
The IUPAC name of propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate (CID 142663411) is propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate.
What is the SMILES notation for propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate?
The canonical SMILES for propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate is C=CCc1cc(OC)c(O)c(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate?
The InChIKey is QRZVEHBFIMXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-5-6-10-7-11(14(16)18-9(2)3)13(15)12(8-10)17-4/h5,7-9,15H,1,6H2,2-4H3.
What are the key properties of propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate?
propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate has a molecular weight of 250.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate is sourced from PubChem (CID 142663411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).