5-(3-tert-butylphenyl)-2-hydroxybenzoic acid

C17H18O3 — CID 67567702

IUPAC5-(3-tert-butylphenyl)-2-hydroxybenzoic acid
SMILESCC(C)(C)c1cccc(-c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C17H18O3/c1-17(2,3)13-6-4-5-11(9-13)12-7-8-15(18)14(10-12)16(19)20/h4-10,18H,1-3H3,(H,19,20)
InChIKeyYPFLBDISFPPQHI-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.05
Rot. Bonds2

About 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid

5-(3-tert-butylphenyl)-2-hydroxybenzoic acid (PubChem CID 67567702) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-2-hydroxybenzoic acid
PubChem CID67567702
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name5-(3-tert-butylphenyl)-2-hydroxybenzoic acid
SMILESCC(C)(C)c1cccc(-c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C17H18O3/c1-17(2,3)13-6-4-5-11(9-13)12-7-8-15(18)14(10-12)16(19)20/h4-10,18H,1-3H3,(H,19,20)
InChIKeyYPFLBDISFPPQHI-UHFFFAOYSA-N
XLogP4.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560
2-(3-tert-butylphenyl)-4,5-dimethylbenzoic acid
CID 71098671
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
2-hydroxy-5-tritylbenzoic acid;zinc
CID 70592363
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid (CID 67567702) is 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid is CC(C)(C)c1cccc(-c2ccc(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid?
The InChIKey is YPFLBDISFPPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,3)13-6-4-5-11(9-13)12-7-8-15(18)14(10-12)16(19)20/h4-10,18H,1-3H3,(H,19,20).
What are the key properties of 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid?
5-(3-tert-butylphenyl)-2-hydroxybenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 67567702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).