propyl 3,5-dihydroxy-4-phenylmethoxybenzoate

C17H18O5 — CID 50923904

IUPACpropyl 3,5-dihydroxy-4-phenylmethoxybenzoate
SMILESCCCOC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1
InChIInChI=1S/C17H18O5/c1-2-8-21-17(20)13-9-14(18)16(15(19)10-13)22-11-12-6-4-3-5-7-12/h3-7,9-10,18-19H,2,8,11H2,1H3
InChIKeyRDMZLAOWAAYUIG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.24
Rot. Bonds6

About propyl 3,5-dihydroxy-4-phenylmethoxybenzoate

propyl 3,5-dihydroxy-4-phenylmethoxybenzoate (PubChem CID 50923904) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is propyl 3,5-dihydroxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Namepropyl 3,5-dihydroxy-4-phenylmethoxybenzoate
PubChem CID50923904
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namepropyl 3,5-dihydroxy-4-phenylmethoxybenzoate
SMILESCCCOC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1
InChIInChI=1S/C17H18O5/c1-2-8-21-17(20)13-9-14(18)16(15(19)10-13)22-11-12-6-4-3-5-7-12/h3-7,9-10,18-19H,2,8,11H2,1H3
InChIKeyRDMZLAOWAAYUIG-UHFFFAOYSA-N
XLogP3.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dihydroxy-4-[[2-(hydroxymethyl)phenyl]methoxy]benzoyl]oxypropyl 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 132556355
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
propyl 3,4,5-trihydroxybenzoate
CID 4947
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
propyl 3,4-dihydroxy-5-propoxybenzoate
CID 123862467
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
sodium;hydride;propyl 3,4,5-trihydroxybenzoate
CID 173298616
propyl 4-hydroxybenzoate;propyl 2-phenylacetate
CID 174922489
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
propyl 4-[(2-aminophenoxy)methyl]benzoate
CID 39109159

Frequently Asked Questions

What is the IUPAC name of propyl 3,5-dihydroxy-4-phenylmethoxybenzoate?
The IUPAC name of propyl 3,5-dihydroxy-4-phenylmethoxybenzoate (CID 50923904) is propyl 3,5-dihydroxy-4-phenylmethoxybenzoate.
What is the SMILES notation for propyl 3,5-dihydroxy-4-phenylmethoxybenzoate?
The canonical SMILES for propyl 3,5-dihydroxy-4-phenylmethoxybenzoate is CCCOC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1.
What is the InChIKey of propyl 3,5-dihydroxy-4-phenylmethoxybenzoate?
The InChIKey is RDMZLAOWAAYUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-2-8-21-17(20)13-9-14(18)16(15(19)10-13)22-11-12-6-4-3-5-7-12/h3-7,9-10,18-19H,2,8,11H2,1H3.
What are the key properties of propyl 3,5-dihydroxy-4-phenylmethoxybenzoate?
propyl 3,5-dihydroxy-4-phenylmethoxybenzoate has a molecular weight of 302.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3,5-dihydroxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 50923904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).