2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid

C17H18O3 — CID 143170614

IUPAC2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid
SMILESCCCc1cc(-c2ccc(C)cc2)cc(C(=O)O)c1O
InChIInChI=1S/C17H18O3/c1-3-4-13-9-14(10-15(16(13)18)17(19)20)12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyIVLNYEIPVSUUFM-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.02
Rot. Bonds4

About 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid

2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid (PubChem CID 143170614) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid
PubChem CID143170614
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid
SMILESCCCc1cc(-c2ccc(C)cc2)cc(C(=O)O)c1O
InChIInChI=1S/C17H18O3/c1-3-4-13-9-14(10-15(16(13)18)17(19)20)12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyIVLNYEIPVSUUFM-UHFFFAOYSA-N
XLogP4.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate
CID 143170652
4-phenyl-2,6-dipropylphenol
CID 66879307
methyl 5-[3,5-bis(4-hydroxy-3-methoxycarbonyl-5-propylphenyl)phenyl]-2-hydroxy-3-propylbenzoate
CID 14925170
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
ethane;2-(hydroxymethyl)-5-(4-methylphenyl)benzoic acid
CID 143170449
5-hydroxy-2-propylbenzoic acid
CID 23105136
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
5-(2,4-difluorophenyl)-2-propylbenzoic acid
CID 130399404
2-(3-methyl-2-oxobutyl)-5-(4-methylphenyl)benzoic acid
CID 159437624
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid?
The IUPAC name of 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid (CID 143170614) is 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid is CCCc1cc(-c2ccc(C)cc2)cc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid?
The InChIKey is IVLNYEIPVSUUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-4-13-9-14(10-15(16(13)18)17(19)20)12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid?
2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid is sourced from PubChem (CID 143170614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).