(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate

C18H20O4 — CID 57116574

IUPAC(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate
SMILESCc1cc(O)c(C(C)C)cc1COC(=O)c1ccccc1O
InChIInChI=1S/C18H20O4/c1-11(2)15-9-13(12(3)8-17(15)20)10-22-18(21)14-6-4-5-7-16(14)19/h4-9,11,19-20H,10H2,1-3H3
InChIKeyLZDLIUOOVPIRKN-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.89
Rot. Bonds4

About (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate

(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate (PubChem CID 57116574) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate
PubChem CID57116574
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate
SMILESCc1cc(O)c(C(C)C)cc1COC(=O)c1ccccc1O
InChIInChI=1S/C18H20O4/c1-11(2)15-9-13(12(3)8-17(15)20)10-22-18(21)14-6-4-5-7-16(14)19/h4-9,11,19-20H,10H2,1-3H3
InChIKeyLZDLIUOOVPIRKN-UHFFFAOYSA-N
XLogP3.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
CID 175168721
4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 7797701
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
2-chloroethyl 2-hydroxybenzoate
CID 13052757
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxybenzoate
CID 16540219

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
The IUPAC name of (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate (CID 57116574) is (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate.
What is the SMILES notation for (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
The canonical SMILES for (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate is Cc1cc(O)c(C(C)C)cc1COC(=O)c1ccccc1O.
What is the InChIKey of (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
The InChIKey is LZDLIUOOVPIRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-11(2)15-9-13(12(3)8-17(15)20)10-22-18(21)14-6-4-5-7-16(14)19/h4-9,11,19-20H,10H2,1-3H3.
What are the key properties of (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate?
(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate has a molecular weight of 300.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate is sourced from PubChem (CID 57116574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).