2-phenoxybutyl 4-hydroxybenzoate

C17H18O4 — CID 19856968

IUPAC2-phenoxybutyl 4-hydroxybenzoate
SMILESCCC(COC(=O)c1ccc(O)cc1)Oc1ccccc1
InChIInChI=1S/C17H18O4/c1-2-15(21-16-6-4-3-5-7-16)12-20-17(19)13-8-10-14(18)11-9-13/h3-11,15,18H,2,12H2,1H3
InChIKeyTVPJXWVLPPGQJO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.41
Rot. Bonds6

About 2-phenoxybutyl 4-hydroxybenzoate

2-phenoxybutyl 4-hydroxybenzoate (PubChem CID 19856968) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenoxybutyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-phenoxybutyl 4-hydroxybenzoate
PubChem CID19856968
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-phenoxybutyl 4-hydroxybenzoate
SMILESCCC(COC(=O)c1ccc(O)cc1)Oc1ccccc1
InChIInChI=1S/C17H18O4/c1-2-15(21-16-6-4-3-5-7-16)12-20-17(19)13-8-10-14(18)11-9-13/h3-11,15,18H,2,12H2,1H3
InChIKeyTVPJXWVLPPGQJO-UHFFFAOYSA-N
XLogP3.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxybenzoate;1-phenoxyethanol
CID 158580425
4-hydroxybenzoic acid;2-methylpropyl 4-hydroxybenzoate
CID 159405948
2-chlorobutyl 4-(4-hydroxyphenyl)benzoate
CID 139679168
4-phenoxyhexanoic acid
CID 166708960
1-hydroxybutan-2-yl 4-hydroxybenzoate
CID 175013058
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
2-methylbutyl 4-[(4-hydroxyphenyl)diazenyl]benzoate
CID 176756039
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
[4-(benzoyloxymethyl)-2,3-diethylhexyl] benzoate
CID 141064314
benzyl 4-propan-2-yloxybenzoate
CID 70079883
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390

Frequently Asked Questions

What is the IUPAC name of 2-phenoxybutyl 4-hydroxybenzoate?
The IUPAC name of 2-phenoxybutyl 4-hydroxybenzoate (CID 19856968) is 2-phenoxybutyl 4-hydroxybenzoate.
What is the SMILES notation for 2-phenoxybutyl 4-hydroxybenzoate?
The canonical SMILES for 2-phenoxybutyl 4-hydroxybenzoate is CCC(COC(=O)c1ccc(O)cc1)Oc1ccccc1.
What is the InChIKey of 2-phenoxybutyl 4-hydroxybenzoate?
The InChIKey is TVPJXWVLPPGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-15(21-16-6-4-3-5-7-16)12-20-17(19)13-8-10-14(18)11-9-13/h3-11,15,18H,2,12H2,1H3.
What are the key properties of 2-phenoxybutyl 4-hydroxybenzoate?
2-phenoxybutyl 4-hydroxybenzoate has a molecular weight of 286.33 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxybutyl 4-hydroxybenzoate is sourced from PubChem (CID 19856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).