4-ethylphenol;4-hydroxybenzoic acid

C15H16O4 — CID 158740772

IUPAC4-ethylphenol;4-hydroxybenzoic acid
SMILESCCc1ccc(O)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H10O.C7H6O3/c1-2-7-3-5-8(9)6-4-7;8-6-3-1-5(2-4-6)7(9)10/h3-6,9H,2H2,1H3;1-4,8H,(H,9,10)
InChIKeyIMGONJYBEMSZAC-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.05
Rot. Bonds2

About 4-ethylphenol;4-hydroxybenzoic acid

4-ethylphenol;4-hydroxybenzoic acid (PubChem CID 158740772) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-ethylphenol;4-hydroxybenzoic acid.

Molecular Properties

Compound Name4-ethylphenol;4-hydroxybenzoic acid
PubChem CID158740772
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-ethylphenol;4-hydroxybenzoic acid
SMILESCCc1ccc(O)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H10O.C7H6O3/c1-2-7-3-5-8(9)6-4-7;8-6-3-1-5(2-4-6)7(9)10/h3-6,9H,2H2,1H3;1-4,8H,(H,9,10)
InChIKeyIMGONJYBEMSZAC-UHFFFAOYSA-N
XLogP3.05
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethylbenzene;4-hydroxybenzoic acid
CID 67658801
4-ethylbenzoic acid;formaldehyde
CID 155718391
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
4-hydroxy(11C)benzoic acid
CID 11275035
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
hexadecane;4-hydroxybenzoic acid
CID 66671223
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565

Frequently Asked Questions

What is the IUPAC name of 4-ethylphenol;4-hydroxybenzoic acid?
The IUPAC name of 4-ethylphenol;4-hydroxybenzoic acid (CID 158740772) is 4-ethylphenol;4-hydroxybenzoic acid.
What is the SMILES notation for 4-ethylphenol;4-hydroxybenzoic acid?
The canonical SMILES for 4-ethylphenol;4-hydroxybenzoic acid is CCc1ccc(O)cc1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-ethylphenol;4-hydroxybenzoic acid?
The InChIKey is IMGONJYBEMSZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H6O3/c1-2-7-3-5-8(9)6-4-7;8-6-3-1-5(2-4-6)7(9)10/h3-6,9H,2H2,1H3;1-4,8H,(H,9,10).
What are the key properties of 4-ethylphenol;4-hydroxybenzoic acid?
4-ethylphenol;4-hydroxybenzoic acid has a molecular weight of 260.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylphenol;4-hydroxybenzoic acid is sourced from PubChem (CID 158740772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).