2-hydroxyethyl 4-(2-phenylphenyl)benzoate

C21H18O3 — CID 139650323

IUPAC2-hydroxyethyl 4-(2-phenylphenyl)benzoate
SMILESO=C(OCCO)c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-14-15-24-21(23)18-12-10-17(11-13-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13,22H,14-15H2
InChIKeyLBXUTUOLXYWWIJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.17
Rot. Bonds5

About 2-hydroxyethyl 4-(2-phenylphenyl)benzoate

2-hydroxyethyl 4-(2-phenylphenyl)benzoate (PubChem CID 139650323) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(2-phenylphenyl)benzoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(2-phenylphenyl)benzoate
PubChem CID139650323
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name2-hydroxyethyl 4-(2-phenylphenyl)benzoate
SMILESO=C(OCCO)c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c22-14-15-24-21(23)18-12-10-17(11-13-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13,22H,14-15H2
InChIKeyLBXUTUOLXYWWIJ-UHFFFAOYSA-N
XLogP4.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-hydroxydecyl 4-(2-phenylphenyl)benzoate
CID 139650314
16-hydroxyhexadecyl 4-(2-phenylphenyl)benzoate
CID 139650319
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180
ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid
CID 161199390
1-O-(2-hydroxyethyl) 4-O-[2-[hydroxy-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxy]phosphoryl]oxyethyl] benzene-1,4-dicarboxylate
CID 138530108
octyl 4-(2-chlorophenyl)benzoate
CID 13072337
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
12-hydroxydodecyl 4-[4-(12-hydroxydodecoxycarbonyl)phenyl]benzoate
CID 139669439
pentyl 4-(2-phenylbenzoyl)benzoate
CID 118469468

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(2-phenylphenyl)benzoate?
The IUPAC name of 2-hydroxyethyl 4-(2-phenylphenyl)benzoate (CID 139650323) is 2-hydroxyethyl 4-(2-phenylphenyl)benzoate.
What is the SMILES notation for 2-hydroxyethyl 4-(2-phenylphenyl)benzoate?
The canonical SMILES for 2-hydroxyethyl 4-(2-phenylphenyl)benzoate is O=C(OCCO)c1ccc(-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-hydroxyethyl 4-(2-phenylphenyl)benzoate?
The InChIKey is LBXUTUOLXYWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-14-15-24-21(23)18-12-10-17(11-13-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13,22H,14-15H2.
What are the key properties of 2-hydroxyethyl 4-(2-phenylphenyl)benzoate?
2-hydroxyethyl 4-(2-phenylphenyl)benzoate has a molecular weight of 318.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-(2-phenylphenyl)benzoate is sourced from PubChem (CID 139650323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).