2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid

C27H30O3 — CID 70427385

IUPAC2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
SMILESCc1ccccc1C(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2C)c1
InChIInChI=1S/C27H30O3/c1-17-11-7-9-13-21(17)26(3,4)19-15-20(25(29)30)24(28)23(16-19)27(5,6)22-14-10-8-12-18(22)2/h7-16,28H,1-6H3,(H,29,30)
InChIKeyJQGCYROYZGDAPO-UHFFFAOYSA-N
MW402.53 g/mol
LogP6.36
Rot. Bonds5

About 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid

2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid (PubChem CID 70427385) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
PubChem CID70427385
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
SMILESCc1ccccc1C(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2C)c1
InChIInChI=1S/C27H30O3/c1-17-11-7-9-13-21(17)26(3,4)19-15-20(25(29)30)24(28)23(16-19)27(5,6)22-14-10-8-12-18(22)2/h7-16,28H,1-6H3,(H,29,30)
InChIKeyJQGCYROYZGDAPO-UHFFFAOYSA-N
XLogP6.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
CID 14548775
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
CID 19770533
2-[2-carboxy-6-methyl-4-(2-phenylpropan-2-yl)phenyl]-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
CID 153202560
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
CID 139751324
2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoic acid;trihydrate
CID 173352352
2-hydroxy-5-[2-(3-methyl-2-propan-2-yloxyphenyl)propan-2-yl]benzoic acid
CID 67904091
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid?
The IUPAC name of 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid (CID 70427385) is 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid is Cc1ccccc1C(C)(C)c1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2C)c1.
What is the InChIKey of 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid?
The InChIKey is JQGCYROYZGDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3/c1-17-11-7-9-13-21(17)26(3,4)19-15-20(25(29)30)24(28)23(16-19)27(5,6)22-14-10-8-12-18(22)2/h7-16,28H,1-6H3,(H,29,30).
What are the key properties of 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid?
2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid has a molecular weight of 402.53 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid is sourced from PubChem (CID 70427385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).