benzhydryl 2,2-dihydroxyacetate

C15H14O4 — CID 11076121

IUPACbenzhydryl 2,2-dihydroxyacetate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C(O)O
InChIInChI=1S/C15H14O4/c16-14(17)15(18)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14,16-17H
InChIKeyGORPVKMLYQPBDJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.63
Rot. Bonds4

About benzhydryl 2,2-dihydroxyacetate

benzhydryl 2,2-dihydroxyacetate (PubChem CID 11076121) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is benzhydryl 2,2-dihydroxyacetate.

Molecular Properties

Compound Namebenzhydryl 2,2-dihydroxyacetate
PubChem CID11076121
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namebenzhydryl 2,2-dihydroxyacetate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C(O)O
InChIInChI=1S/C15H14O4/c16-14(17)15(18)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14,16-17H
InChIKeyGORPVKMLYQPBDJ-UHFFFAOYSA-N
XLogP1.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzhydryl 2,2-dichloroacetate
CID 102144827
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
benzhydryl (2R)-2-chloropropanoate
CID 14524946
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl (2R)-2-bromo-3-hydroxypropanoate
CID 125496353
dibenzhydryl (E)-but-2-enedioate
CID 19073748
benzhydryl 1-hydroxycyclopropane-1-carboxylate
CID 125496378
2-benzhydryloxycarbonylbut-3-enoic acid
CID 174510218
benzhydryl 2-bromopentanoate
CID 19603754
benzhydryl 2-(oxamoylamino)-2-phenylacetate
CID 86736018

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2,2-dihydroxyacetate?
The IUPAC name of benzhydryl 2,2-dihydroxyacetate (CID 11076121) is benzhydryl 2,2-dihydroxyacetate.
What is the SMILES notation for benzhydryl 2,2-dihydroxyacetate?
The canonical SMILES for benzhydryl 2,2-dihydroxyacetate is O=C(OC(c1ccccc1)c1ccccc1)C(O)O.
What is the InChIKey of benzhydryl 2,2-dihydroxyacetate?
The InChIKey is GORPVKMLYQPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-14(17)15(18)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14,16-17H.
What are the key properties of benzhydryl 2,2-dihydroxyacetate?
benzhydryl 2,2-dihydroxyacetate has a molecular weight of 258.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2,2-dihydroxyacetate is sourced from PubChem (CID 11076121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).