(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate

C18H20O4 — CID 137442324

IUPAC(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
SMILESCC(C)(C)c1ccc(COC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H20O4/c1-18(2,3)14-6-4-12(5-7-14)11-22-17(21)13-8-15(19)10-16(20)9-13/h4-10,19-20H,11H2,1-3H3
InChIKeyZGMHZCPGSITROD-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.75
Rot. Bonds3

About (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate

(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate (PubChem CID 137442324) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
PubChem CID137442324
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
SMILESCC(C)(C)c1ccc(COC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C18H20O4/c1-18(2,3)14-6-4-12(5-7-14)11-22-17(21)13-8-15(19)10-16(20)9-13/h4-10,19-20H,11H2,1-3H3
InChIKeyZGMHZCPGSITROD-UHFFFAOYSA-N
XLogP3.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-tert-butyl-5-hydroxybenzoate
CID 178098727
(4-tert-butylphenyl)methyl 4-methylbenzoate
CID 926039
(4-tert-butylphenyl)methyl 4-carbamoylbenzoate
CID 30799344
[4-(trifluoromethyl)phenyl]methyl 4-tert-butylbenzoate
CID 2743784
prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
CID 21474565
(4-cyanophenyl)methyl 4-tert-butylbenzoate
CID 3961953
(4-tert-butylphenyl)methyl 4-nitrobenzoate
CID 976076
[4-(2-methylbutan-2-yl)phenyl]methyl 3,5-dimethoxybenzoate
CID 138720764
benzyl 3-tert-butylbenzoate
CID 59132221
1,3-benzodioxol-5-ylmethyl 4-tert-butylbenzoate
CID 7891886
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
methyl 3,5-bis[(4-tert-butylphenyl)methoxy]benzoate
CID 135035006

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate?
The IUPAC name of (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate (CID 137442324) is (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate.
What is the SMILES notation for (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate?
The canonical SMILES for (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate is CC(C)(C)c1ccc(COC(=O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate?
The InChIKey is ZGMHZCPGSITROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-18(2,3)14-6-4-12(5-7-14)11-22-17(21)13-8-15(19)10-16(20)9-13/h4-10,19-20H,11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate?
(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate has a molecular weight of 300.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate is sourced from PubChem (CID 137442324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).