ethyl 4-hydroxybenzoate;propylbenzene

C18H22O3 — CID 174891390

IUPACethyl 4-hydroxybenzoate;propylbenzene
SMILESCCCc1ccccc1.CCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O3.C9H12/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-2-6-9-7-4-3-5-8-9/h3-6,10H,2H2,1H3;3-5,7-8H,2,6H2,1H3
InChIKeyGVXQGCWTDMLRME-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.21
Rot. Bonds4

About ethyl 4-hydroxybenzoate;propylbenzene

ethyl 4-hydroxybenzoate;propylbenzene (PubChem CID 174891390) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 4-hydroxybenzoate;propylbenzene.

Molecular Properties

Compound Nameethyl 4-hydroxybenzoate;propylbenzene
PubChem CID174891390
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Nameethyl 4-hydroxybenzoate;propylbenzene
SMILESCCCc1ccccc1.CCOC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O3.C9H12/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-2-6-9-7-4-3-5-8-9/h3-6,10H,2H2,1H3;3-5,7-8H,2,6H2,1H3
InChIKeyGVXQGCWTDMLRME-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylethyl 4-hydroxybenzoate
CID 11977778
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
4-propylbenzoic acid;propyl 4-hydroxybenzoate
CID 158237935
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
CID 158970570
CID 158970570
phenol;propylbenzene
CID 18469730
propyl 4-hydroxybenzoate;propyl 2-phenylacetate
CID 174922489
ethyl 4-hydroxybenzoate;1-phenoxyethanol
CID 158580425
ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate
CID 91879838
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxybenzoate;propylbenzene?
The IUPAC name of ethyl 4-hydroxybenzoate;propylbenzene (CID 174891390) is ethyl 4-hydroxybenzoate;propylbenzene.
What is the SMILES notation for ethyl 4-hydroxybenzoate;propylbenzene?
The canonical SMILES for ethyl 4-hydroxybenzoate;propylbenzene is CCCc1ccccc1.CCOC(=O)c1ccc(O)cc1.
What is the InChIKey of ethyl 4-hydroxybenzoate;propylbenzene?
The InChIKey is GVXQGCWTDMLRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C9H12/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-2-6-9-7-4-3-5-8-9/h3-6,10H,2H2,1H3;3-5,7-8H,2,6H2,1H3.
What are the key properties of ethyl 4-hydroxybenzoate;propylbenzene?
ethyl 4-hydroxybenzoate;propylbenzene has a molecular weight of 286.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxybenzoate;propylbenzene is sourced from PubChem (CID 174891390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).