butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate

C19H20O5 — CID 11681436

IUPACbutyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate
SMILESCCCCOC(=O)c1ccccc1COC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H20O5/c1-2-3-12-23-19(22)17-7-5-4-6-15(17)13-24-18(21)14-8-10-16(20)11-9-14/h4-11,20H,2-3,12-13H2,1H3
InChIKeyHJMKIHNMLGHHNB-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.71
Rot. Bonds7

About butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate

butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate (PubChem CID 11681436) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate.

Molecular Properties

Compound Namebutyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate
PubChem CID11681436
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namebutyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate
SMILESCCCCOC(=O)c1ccccc1COC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H20O5/c1-2-3-12-23-19(22)17-7-5-4-6-15(17)13-24-18(21)14-8-10-16(20)11-9-14/h4-11,20H,2-3,12-13H2,1H3
InChIKeyHJMKIHNMLGHHNB-UHFFFAOYSA-N
XLogP3.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
butyl 4-hydroxybenzoate;2-hydroxybenzamide
CID 67614502
butyl 2-[(3-methylbenzoyl)oxymethyl]benzoate
CID 11566062
butyl 2-propylbenzoate
CID 20558593
butyl 2-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 155166491
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
dibutyl benzene-1,2-dicarboxylate
CID 69108201
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225
butane;docosyl 4-hydroxybenzoate
CID 175271638
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
(111C)butyl benzoate
CID 11994383
4-O-[(2-fluorophenyl)methyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740361

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate?
The IUPAC name of butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate (CID 11681436) is butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate.
What is the SMILES notation for butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate?
The canonical SMILES for butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate is CCCCOC(=O)c1ccccc1COC(=O)c1ccc(O)cc1.
What is the InChIKey of butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate?
The InChIKey is HJMKIHNMLGHHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-2-3-12-23-19(22)17-7-5-4-6-15(17)13-24-18(21)14-8-10-16(20)11-9-14/h4-11,20H,2-3,12-13H2,1H3.
What are the key properties of butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate?
butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate has a molecular weight of 328.36 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4-hydroxybenzoyl)oxymethyl]benzoate is sourced from PubChem (CID 11681436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).