2,3-dihydroxypropyl 4-phenylmethoxybenzoate

C17H18O5 — CID 71423626

IUPAC2,3-dihydroxypropyl 4-phenylmethoxybenzoate
SMILESO=C(OCC(O)CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O5/c18-10-15(19)12-22-17(20)14-6-8-16(9-7-14)21-11-13-4-2-1-3-5-13/h1-9,15,18-19H,10-12H2
InChIKeyMIBSDSHCGCXTBA-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.78
Rot. Bonds7

About 2,3-dihydroxypropyl 4-phenylmethoxybenzoate

2,3-dihydroxypropyl 4-phenylmethoxybenzoate (PubChem CID 71423626) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 4-phenylmethoxybenzoate
PubChem CID71423626
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2,3-dihydroxypropyl 4-phenylmethoxybenzoate
SMILESO=C(OCC(O)CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O5/c18-10-15(19)12-22-17(20)14-6-8-16(9-7-14)21-11-13-4-2-1-3-5-13/h1-9,15,18-19H,10-12H2
InChIKeyMIBSDSHCGCXTBA-UHFFFAOYSA-N
XLogP1.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
2,3-dihydroxypropyl benzoate dibenzoate
CID 20976561
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
4-phenylmethoxybenzoic acid
CID 68896574
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 4-phenylmethoxybenzoate?
The IUPAC name of 2,3-dihydroxypropyl 4-phenylmethoxybenzoate (CID 71423626) is 2,3-dihydroxypropyl 4-phenylmethoxybenzoate.
What is the SMILES notation for 2,3-dihydroxypropyl 4-phenylmethoxybenzoate?
The canonical SMILES for 2,3-dihydroxypropyl 4-phenylmethoxybenzoate is O=C(OCC(O)CO)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2,3-dihydroxypropyl 4-phenylmethoxybenzoate?
The InChIKey is MIBSDSHCGCXTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c18-10-15(19)12-22-17(20)14-6-8-16(9-7-14)21-11-13-4-2-1-3-5-13/h1-9,15,18-19H,10-12H2.
What are the key properties of 2,3-dihydroxypropyl 4-phenylmethoxybenzoate?
2,3-dihydroxypropyl 4-phenylmethoxybenzoate has a molecular weight of 302.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 4-phenylmethoxybenzoate is sourced from PubChem (CID 71423626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).