3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid

C22H20O5 — CID 175815077

IUPAC3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
SMILESCc1c(C(=O)O)cc(OCc2ccccc2)c(OCc2ccccc2)c1O
InChIInChI=1S/C22H20O5/c1-15-18(22(24)25)12-19(26-13-16-8-4-2-5-9-16)21(20(15)23)27-14-17-10-6-3-7-11-17/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeyVNMKKMHAVYXBGX-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.56
Rot. Bonds7

About 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid

3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid (PubChem CID 175815077) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
PubChem CID175815077
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
SMILESCc1c(C(=O)O)cc(OCc2ccccc2)c(OCc2ccccc2)c1O
InChIInChI=1S/C22H20O5/c1-15-18(22(24)25)12-19(26-13-16-8-4-2-5-9-16)21(20(15)23)27-14-17-10-6-3-7-11-17/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeyVNMKKMHAVYXBGX-UHFFFAOYSA-N
XLogP4.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
5-pentyl-2,3-bis(phenylmethoxy)benzoic acid
CID 118026037
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
2-bromo-5-methyl-4-phenylmethoxybenzoic acid
CID 151110927
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
3-ethyl-2-iodo-5-methoxy-4-phenylmethoxybenzoic acid
CID 157224602

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid?
The IUPAC name of 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid (CID 175815077) is 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid is Cc1c(C(=O)O)cc(OCc2ccccc2)c(OCc2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid?
The InChIKey is VNMKKMHAVYXBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-15-18(22(24)25)12-19(26-13-16-8-4-2-5-9-16)21(20(15)23)27-14-17-10-6-3-7-11-17/h2-12,23H,13-14H2,1H3,(H,24,25).
What are the key properties of 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid?
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid has a molecular weight of 364.40 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid is sourced from PubChem (CID 175815077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).