oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate

C19H20O4 — CID 21464246

IUPACoxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate
SMILESO=C(OC1CCCCO1)c1ccccc1-c1ccc(CO)cc1
InChIInChI=1S/C19H20O4/c20-13-14-8-10-15(11-9-14)16-5-1-2-6-17(16)19(21)23-18-7-3-4-12-22-18/h1-2,5-6,8-11,18,20H,3-4,7,12-13H2
InChIKeyLLHVSKSICVTLPA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.53
Rot. Bonds4

About oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate

oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate (PubChem CID 21464246) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate.

Molecular Properties

Compound Nameoxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate
PubChem CID21464246
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameoxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate
SMILESO=C(OC1CCCCO1)c1ccccc1-c1ccc(CO)cc1
InChIInChI=1S/C19H20O4/c20-13-14-8-10-15(11-9-14)16-5-1-2-6-17(16)19(21)23-18-7-3-4-12-22-18/h1-2,5-6,8-11,18,20H,3-4,7,12-13H2
InChIKeyLLHVSKSICVTLPA-UHFFFAOYSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate 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

tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
oxan-2-yl 3-methylbenzoate
CID 139991124
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
oxan-2-yl 3-phenylpropanoate
CID 10609743
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
CID 10182459
[(1R)-2-oxocyclohexyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2448511
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
oxan-2-yl 4-bromo-2-fluorobenzoate
CID 138115268
bis(oxolan-2-yl) 9-oxofluorene-2,7-dicarboxylate
CID 144860107
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
methanethioyloxymethyl 2-[4-(hydroxymethyl)phenyl]benzoate
CID 21464234

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate?
The IUPAC name of oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate (CID 21464246) is oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate.
What is the SMILES notation for oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate?
The canonical SMILES for oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate is O=C(OC1CCCCO1)c1ccccc1-c1ccc(CO)cc1.
What is the InChIKey of oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate?
The InChIKey is LLHVSKSICVTLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c20-13-14-8-10-15(11-9-14)16-5-1-2-6-17(16)19(21)23-18-7-3-4-12-22-18/h1-2,5-6,8-11,18,20H,3-4,7,12-13H2.
What are the key properties of oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate?
oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2-[4-(hydroxymethyl)phenyl]benzoate is sourced from PubChem (CID 21464246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).