(4-methylphenyl)methyl 2-benzhydryloxyacetate

C23H22O3 — CID 22159799

IUPAC(4-methylphenyl)methyl 2-benzhydryloxyacetate
SMILESCc1ccc(COC(=O)COC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O3/c1-18-12-14-19(15-13-18)16-25-22(24)17-26-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23H,16-17H2,1H3
InChIKeyXCKBYBYZDFMCKI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.84
Rot. Bonds7

About (4-methylphenyl)methyl 2-benzhydryloxyacetate

(4-methylphenyl)methyl 2-benzhydryloxyacetate (PubChem CID 22159799) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-benzhydryloxyacetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-benzhydryloxyacetate
PubChem CID22159799
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name(4-methylphenyl)methyl 2-benzhydryloxyacetate
SMILESCc1ccc(COC(=O)COC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O3/c1-18-12-14-19(15-13-18)16-25-22(24)17-26-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23H,16-17H2,1H3
InChIKeyXCKBYBYZDFMCKI-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl 2-benzhydryloxyacetate
CID 57147359
benzyl 2-(4-methylphenyl)sulfanylacetate
CID 162405759
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
CID 144833958
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
benzyl carbonochloridate;toluene
CID 86663382
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 2-dimethylphosphoryloxyacetate
CID 59427280
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-benzhydryloxyacetate?
The IUPAC name of (4-methylphenyl)methyl 2-benzhydryloxyacetate (CID 22159799) is (4-methylphenyl)methyl 2-benzhydryloxyacetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-benzhydryloxyacetate?
The canonical SMILES for (4-methylphenyl)methyl 2-benzhydryloxyacetate is Cc1ccc(COC(=O)COC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-benzhydryloxyacetate?
The InChIKey is XCKBYBYZDFMCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-18-12-14-19(15-13-18)16-25-22(24)17-26-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23H,16-17H2,1H3.
What are the key properties of (4-methylphenyl)methyl 2-benzhydryloxyacetate?
(4-methylphenyl)methyl 2-benzhydryloxyacetate has a molecular weight of 346.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-benzhydryloxyacetate is sourced from PubChem (CID 22159799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).