2-phenylethyl 4-hydroxybenzoate

C15H14O3 — CID 11977778

IUPAC2-phenylethyl 4-hydroxybenzoate
SMILESO=C(OCCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyPVOSMOVHDHSYCE-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.79
Rot. Bonds4

About 2-phenylethyl 4-hydroxybenzoate

2-phenylethyl 4-hydroxybenzoate (PubChem CID 11977778) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-phenylethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-phenylethyl 4-hydroxybenzoate
PubChem CID11977778
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-phenylethyl 4-hydroxybenzoate
SMILESO=C(OCCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyPVOSMOVHDHSYCE-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
2-phenylethyl 4-(methylsulfonylmethyl)benzoate
CID 78776770
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
propyl 4-hydroxybenzoate;propyl 2-phenylacetate
CID 174922489
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-hydroxybenzoate?
The IUPAC name of 2-phenylethyl 4-hydroxybenzoate (CID 11977778) is 2-phenylethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-phenylethyl 4-hydroxybenzoate?
The canonical SMILES for 2-phenylethyl 4-hydroxybenzoate is O=C(OCCc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 2-phenylethyl 4-hydroxybenzoate?
The InChIKey is PVOSMOVHDHSYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2.
What are the key properties of 2-phenylethyl 4-hydroxybenzoate?
2-phenylethyl 4-hydroxybenzoate has a molecular weight of 242.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-hydroxybenzoate is sourced from PubChem (CID 11977778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).