ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate

C19H26O4 — CID 162013248

IUPACethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
SMILESCC.CC.O=C(OCCc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H14O4.2C2H6/c16-13-5-1-11(2-6-13)9-10-19-15(18)12-3-7-14(17)8-4-12;2*1-2/h1-8,16-17H,9-10H2;2*1-2H3
InChIKeyYTTKAMZNADVQHF-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.55
Rot. Bonds4

About ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate

ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate (PubChem CID 162013248) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Nameethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
PubChem CID162013248
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Nameethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
SMILESCC.CC.O=C(OCCc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H14O4.2C2H6/c16-13-5-1-11(2-6-13)9-10-19-15(18)12-3-7-14(17)8-4-12;2*1-2/h1-8,16-17H,9-10H2;2*1-2H3
InChIKeyYTTKAMZNADVQHF-UHFFFAOYSA-N
XLogP4.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylethyl 4-hydroxybenzoate
CID 11977778
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
CID 162070646
4-propylbenzoic acid;propyl 4-hydroxybenzoate
CID 158237935
propyl 4-hydroxybenzoate
CID 66683808
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
2-propan-2-yloxyethyl 4-hydroxybenzoate
CID 71749586
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate?
The IUPAC name of ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate (CID 162013248) is ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate.
What is the SMILES notation for ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate?
The canonical SMILES for ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate is CC.CC.O=C(OCCc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate?
The InChIKey is YTTKAMZNADVQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4.2C2H6/c16-13-5-1-11(2-6-13)9-10-19-15(18)12-3-7-14(17)8-4-12;2*1-2/h1-8,16-17H,9-10H2;2*1-2H3.
What are the key properties of ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate?
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate has a molecular weight of 318.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate is sourced from PubChem (CID 162013248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).