benzaldehyde;methyl 4-hydroxybenzoate

C15H14O4 — CID 174817646

IUPACbenzaldehyde;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.O=Cc1ccccc1
InChIInChI=1S/C8H8O3.C7H6O/c1-11-8(10)6-2-4-7(9)5-3-6;8-6-7-4-2-1-3-5-7/h2-5,9H,1H3;1-6H
InChIKeyAEEXCZALHDXRDA-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.68
Rot. Bonds2

About benzaldehyde;methyl 4-hydroxybenzoate

benzaldehyde;methyl 4-hydroxybenzoate (PubChem CID 174817646) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is benzaldehyde;methyl 4-hydroxybenzoate.

Molecular Properties

Compound Namebenzaldehyde;methyl 4-hydroxybenzoate
PubChem CID174817646
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namebenzaldehyde;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.O=Cc1ccccc1
InChIInChI=1S/C8H8O3.C7H6O/c1-11-8(10)6-2-4-7(9)5-3-6;8-6-7-4-2-1-3-5-7/h2-5,9H,1H3;1-6H
InChIKeyAEEXCZALHDXRDA-UHFFFAOYSA-N
XLogP2.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 4-formylbenzoate
CID 91069506
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
CID 159177716
CID 159177716
benzaldehyde;benzoyl benzoate
CID 160747482
methyl 4-hydroxybenzoate;oxalyl dichloride
CID 174433291
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
acetic acid;4-hydroxybenzaldehyde
CID 86610069
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl 3-formyl-5-phenylbenzoate
CID 88561174

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;methyl 4-hydroxybenzoate?
The IUPAC name of benzaldehyde;methyl 4-hydroxybenzoate (CID 174817646) is benzaldehyde;methyl 4-hydroxybenzoate.
What is the SMILES notation for benzaldehyde;methyl 4-hydroxybenzoate?
The canonical SMILES for benzaldehyde;methyl 4-hydroxybenzoate is COC(=O)c1ccc(O)cc1.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;methyl 4-hydroxybenzoate?
The InChIKey is AEEXCZALHDXRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C7H6O/c1-11-8(10)6-2-4-7(9)5-3-6;8-6-7-4-2-1-3-5-7/h2-5,9H,1H3;1-6H.
What are the key properties of benzaldehyde;methyl 4-hydroxybenzoate?
benzaldehyde;methyl 4-hydroxybenzoate has a molecular weight of 258.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;methyl 4-hydroxybenzoate is sourced from PubChem (CID 174817646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).