4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid

C17H15NO4 — CID 175377266

IUPAC4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(C(=O)O)cc1.N#Cc1ccc(O)cc1
InChIInChI=1S/C10H10O3.C7H5NO/c1-2-7-13-9-5-3-8(4-6-9)10(11)12;8-5-6-1-3-7(9)4-2-6/h2-6H,1,7H2,(H,11,12);1-4,9H
InChIKeyUJAZLRODGKOROJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.21
Rot. Bonds4

About 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid

4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid (PubChem CID 175377266) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid.

Molecular Properties

Compound Name4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid
PubChem CID175377266
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(C(=O)O)cc1.N#Cc1ccc(O)cc1
InChIInChI=1S/C10H10O3.C7H5NO/c1-2-7-13-9-5-3-8(4-6-9)10(11)12;8-5-6-1-3-7(9)4-2-6/h2-6H,1,7H2,(H,11,12);1-4,9H
InChIKeyUJAZLRODGKOROJ-UHFFFAOYSA-N
XLogP3.21
TPSA90.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene;4-prop-2-enoxybenzoic acid
CID 174857047
4-hydroxybenzonitrile;3-prop-2-enoxyprop-1-ene
CID 21472413
phenol;4-prop-2-enoxyphenol
CID 70303777
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
3,5-bis(prop-2-enoxy)benzoic acid
CID 3313564
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
benzene-1,4-diol;bis(4-(5-oxohept-6-enoxy)benzoic acid)
CID 66810622
12-[4-(4-cyanophenyl)phenoxy]dodecyl 4-(4-hydroxyphenyl)benzoate
CID 67196002

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid?
The IUPAC name of 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid (CID 175377266) is 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid.
What is the SMILES notation for 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid?
The canonical SMILES for 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid is C=CCOc1ccc(C(=O)O)cc1.N#Cc1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid?
The InChIKey is UJAZLRODGKOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C7H5NO/c1-2-7-13-9-5-3-8(4-6-9)10(11)12;8-5-6-1-3-7(9)4-2-6/h2-6H,1,7H2,(H,11,12);1-4,9H.
What are the key properties of 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid?
4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid has a molecular weight of 297.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid is sourced from PubChem (CID 175377266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).