2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid

C25H26O4 — CID 21413982

IUPAC2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
SMILESCC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(=O)O)c1O
InChIInChI=1S/C25H26O4/c1-24(2,16-11-7-5-8-12-16)18-15-19(22(27)20(21(18)26)23(28)29)25(3,4)17-13-9-6-10-14-17/h5-15,26-27H,1-4H3,(H,28,29)
InChIKeyFWMQXFHMDXWEGE-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.45
Rot. Bonds5

About 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid

2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid (PubChem CID 21413982) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid.

Molecular Properties

Compound Name2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
PubChem CID21413982
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
SMILESCC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(=O)O)c1O
InChIInChI=1S/C25H26O4/c1-24(2,16-11-7-5-8-12-16)18-15-19(22(27)20(21(18)26)23(28)29)25(3,4)17-13-9-6-10-14-17/h5-15,26-27H,1-4H3,(H,28,29)
InChIKeyFWMQXFHMDXWEGE-UHFFFAOYSA-N
XLogP5.45
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoic acid;trihydrate
CID 173352352
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzenesulfonic acid
CID 57148231
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
CID 19770533
2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 71427223
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
CID 14883392
2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
CID 14548775
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
CID 70427385
3-tert-butyl-2,5,6-trihydroxybenzoic acid
CID 130287013

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid?
The IUPAC name of 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid (CID 21413982) is 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid.
What is the SMILES notation for 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid?
The canonical SMILES for 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid is CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(=O)O)c1O.
What is the InChIKey of 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid?
The InChIKey is FWMQXFHMDXWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-24(2,16-11-7-5-8-12-16)18-15-19(22(27)20(21(18)26)23(28)29)25(3,4)17-13-9-6-10-14-17/h5-15,26-27H,1-4H3,(H,28,29).
What are the key properties of 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid?
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid has a molecular weight of 390.48 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid is sourced from PubChem (CID 21413982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).