ethylbenzene;4-hydroxybenzoic acid

C15H16O3 — CID 67658801

IUPACethylbenzene;4-hydroxybenzoic acid
SMILESCCc1ccccc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H10.C7H6O3/c1-2-8-6-4-3-5-7-8;8-6-3-1-5(2-4-6)7(9)10/h3-7H,2H2,1H3;1-4,8H,(H,9,10)
InChIKeyUIKCNBCIKNBMHE-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.34
Rot. Bonds2

About ethylbenzene;4-hydroxybenzoic acid

ethylbenzene;4-hydroxybenzoic acid (PubChem CID 67658801) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethylbenzene;4-hydroxybenzoic acid.

Molecular Properties

Compound Nameethylbenzene;4-hydroxybenzoic acid
PubChem CID67658801
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameethylbenzene;4-hydroxybenzoic acid
SMILESCCc1ccccc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H10.C7H6O3/c1-2-8-6-4-3-5-7-8;8-6-3-1-5(2-4-6)7(9)10/h3-7H,2H2,1H3;1-4,8H,(H,9,10)
InChIKeyUIKCNBCIKNBMHE-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
benzoic acid;ethylbenzene;formic acid
CID 141050688
4-ethylbenzoic acid;formaldehyde
CID 155718391
benzene-1,4-diol;benzoic acid
CID 67019242
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
hexadecane;4-hydroxybenzoic acid
CID 66671223
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
butane-2,3-dione;ethylbenzene
CID 174875574

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;4-hydroxybenzoic acid?
The IUPAC name of ethylbenzene;4-hydroxybenzoic acid (CID 67658801) is ethylbenzene;4-hydroxybenzoic acid.
What is the SMILES notation for ethylbenzene;4-hydroxybenzoic acid?
The canonical SMILES for ethylbenzene;4-hydroxybenzoic acid is CCc1ccccc1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of ethylbenzene;4-hydroxybenzoic acid?
The InChIKey is UIKCNBCIKNBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6O3/c1-2-8-6-4-3-5-7-8;8-6-3-1-5(2-4-6)7(9)10/h3-7H,2H2,1H3;1-4,8H,(H,9,10).
What are the key properties of ethylbenzene;4-hydroxybenzoic acid?
ethylbenzene;4-hydroxybenzoic acid has a molecular weight of 244.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;4-hydroxybenzoic acid is sourced from PubChem (CID 67658801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).