2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid

C17H18O6 — CID 139609935

IUPAC2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(C(O)(C(=O)O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18O6/c1-21-13-9-12(10-14(22-2)15(13)23-3)17(20,16(18)19)11-7-5-4-6-8-11/h4-10,20H,1-3H3,(H,18,19)
InChIKeyDNIOFOLCMONCMH-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.03
Rot. Bonds6

About 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid

2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid (PubChem CID 139609935) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
PubChem CID139609935
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(C(O)(C(=O)O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18O6/c1-21-13-9-12(10-14(22-2)15(13)23-3)17(20,16(18)19)11-7-5-4-6-8-11/h4-10,20H,1-3H3,(H,18,19)
InChIKeyDNIOFOLCMONCMH-UHFFFAOYSA-N
XLogP2.03
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
CID 161419410
CID 161419410
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 175121114
[3-methyl-3-(3,4,5-trimethoxyphenyl)butyl] benzoate
CID 138977904
2-amino-N-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 120593249
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
CID 117352931
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 23377158

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid (CID 139609935) is 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid is COc1cc(C(O)(C(=O)O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is DNIOFOLCMONCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-21-13-9-12(10-14(22-2)15(13)23-3)17(20,16(18)19)11-7-5-4-6-8-11/h4-10,20H,1-3H3,(H,18,19).
What are the key properties of 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid?
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 318.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 139609935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).