benzhydryl (2S)-2-(2-methoxyphenyl)propanoate

C23H22O3 — CID 156776599

IUPACbenzhydryl (2S)-2-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1[C@H](C)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O3/c1-17(20-15-9-10-16-21(20)25-2)23(24)26-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3/t17-/m0/s1
InChIKeyOAILWYLEHMKNLM-KRWDZBQOSA-N
MW346.43 g/mol
LogP5.13
Rot. Bonds6

About benzhydryl (2S)-2-(2-methoxyphenyl)propanoate

benzhydryl (2S)-2-(2-methoxyphenyl)propanoate (PubChem CID 156776599) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzhydryl (2S)-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namebenzhydryl (2S)-2-(2-methoxyphenyl)propanoate
PubChem CID156776599
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Namebenzhydryl (2S)-2-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1[C@H](C)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O3/c1-17(20-15-9-10-16-21(20)25-2)23(24)26-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3/t17-/m0/s1
InChIKeyOAILWYLEHMKNLM-KRWDZBQOSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
O-[(2-methoxyphenyl)-phenylmethyl]hydroxylamine
CID 155511362
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl (2R)-2-chloropropanoate
CID 14524946
benzhydryl 2,2-dihydroxyacetate
CID 11076121
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
(2-tert-butylphenyl) (2R)-2-(2-methoxyphenyl)propanoate
CID 134922138
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
2-(2-methoxyphenyl)-2-phenylacetate
CID 57353343
1-[2-methoxy-6-(1-phenylethyl)phenyl]ethanone
CID 102035801

Frequently Asked Questions

What is the IUPAC name of benzhydryl (2S)-2-(2-methoxyphenyl)propanoate?
The IUPAC name of benzhydryl (2S)-2-(2-methoxyphenyl)propanoate (CID 156776599) is benzhydryl (2S)-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for benzhydryl (2S)-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for benzhydryl (2S)-2-(2-methoxyphenyl)propanoate is COc1ccccc1[C@H](C)C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl (2S)-2-(2-methoxyphenyl)propanoate?
The InChIKey is OAILWYLEHMKNLM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22O3/c1-17(20-15-9-10-16-21(20)25-2)23(24)26-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3/t17-/m0/s1.
What are the key properties of benzhydryl (2S)-2-(2-methoxyphenyl)propanoate?
benzhydryl (2S)-2-(2-methoxyphenyl)propanoate has a molecular weight of 346.43 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl (2S)-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 156776599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).