propyl 4-hydroxybenzoate;propyl 2-phenylacetate

C21H26O5 — CID 174922489

IUPACpropyl 4-hydroxybenzoate;propyl 2-phenylacetate
SMILESCCCOC(=O)Cc1ccccc1.CCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O2.C10H12O3/c1-2-8-13-11(12)9-10-6-4-3-5-7-10;1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-7H,2,8-9H2,1H3;3-6,11H,2,7H2,1H3
InChIKeyLRVZFAFHSOMQIU-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.14
Rot. Bonds7

About propyl 4-hydroxybenzoate;propyl 2-phenylacetate

propyl 4-hydroxybenzoate;propyl 2-phenylacetate (PubChem CID 174922489) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is propyl 4-hydroxybenzoate;propyl 2-phenylacetate.

Molecular Properties

Compound Namepropyl 4-hydroxybenzoate;propyl 2-phenylacetate
PubChem CID174922489
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Namepropyl 4-hydroxybenzoate;propyl 2-phenylacetate
SMILESCCCOC(=O)Cc1ccccc1.CCCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14O2.C10H12O3/c1-2-8-13-11(12)9-10-6-4-3-5-7-10;1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-7H,2,8-9H2,1H3;3-6,11H,2,7H2,1H3
InChIKeyLRVZFAFHSOMQIU-UHFFFAOYSA-N
XLogP4.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
propyl 4-hydroxybenzoate
CID 66683808
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
diphenyl-(4-propoxycarbonylphenyl)sulfanium
CID 164747685
2-phenylethyl 4-hydroxybenzoate
CID 11977778
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
4-propylbenzoic acid;propyl 4-hydroxybenzoate
CID 158237935
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390
pent-2-ene;propyl 4-hydroxybenzoate;propyl propanoate
CID 174491350

Frequently Asked Questions

What is the IUPAC name of propyl 4-hydroxybenzoate;propyl 2-phenylacetate?
The IUPAC name of propyl 4-hydroxybenzoate;propyl 2-phenylacetate (CID 174922489) is propyl 4-hydroxybenzoate;propyl 2-phenylacetate.
What is the SMILES notation for propyl 4-hydroxybenzoate;propyl 2-phenylacetate?
The canonical SMILES for propyl 4-hydroxybenzoate;propyl 2-phenylacetate is CCCOC(=O)Cc1ccccc1.CCCOC(=O)c1ccc(O)cc1.
What is the InChIKey of propyl 4-hydroxybenzoate;propyl 2-phenylacetate?
The InChIKey is LRVZFAFHSOMQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C10H12O3/c1-2-8-13-11(12)9-10-6-4-3-5-7-10;1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-7H,2,8-9H2,1H3;3-6,11H,2,7H2,1H3.
What are the key properties of propyl 4-hydroxybenzoate;propyl 2-phenylacetate?
propyl 4-hydroxybenzoate;propyl 2-phenylacetate has a molecular weight of 358.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-hydroxybenzoate;propyl 2-phenylacetate is sourced from PubChem (CID 174922489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).