4-hydroxybenzoic acid;decahydrate

C7H26O13 — CID 140502755

IUPAC4-hydroxybenzoic acid;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.10H2O/c8-6-3-1-5(2-4-6)7(9)10;;;;;;;;;;/h1-4,8H,(H,9,10);10*1H2
InChIKeyCCUFWLBBSPYMLP-UHFFFAOYSA-N
MW318.27 g/mol
LogP-7.16
Rot. Bonds1

About 4-hydroxybenzoic acid;decahydrate

4-hydroxybenzoic acid;decahydrate (PubChem CID 140502755) has the molecular formula C7H26O13 and a molecular weight of 318.27 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;decahydrate.

Molecular Properties

Compound Name4-hydroxybenzoic acid;decahydrate
PubChem CID140502755
Molecular FormulaC7H26O13
Molecular Weight318.27 g/mol
Exact Mass318.14
IUPAC Name4-hydroxybenzoic acid;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3.10H2O/c8-6-3-1-5(2-4-6)7(9)10;;;;;;;;;;/h1-4,8H,(H,9,10);10*1H2
InChIKeyCCUFWLBBSPYMLP-UHFFFAOYSA-N
XLogP-7.16
TPSA372.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 5-7.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;silver
CID 88784168
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide
CID 173466200
benzene-1,4-diol;benzoic acid
CID 67019242
acetamide;4-hydroxybenzoic acid
CID 67150268
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
terephthalic acid
CID 160582437
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;decahydrate?
The IUPAC name of 4-hydroxybenzoic acid;decahydrate (CID 140502755) is 4-hydroxybenzoic acid;decahydrate.
What is the SMILES notation for 4-hydroxybenzoic acid;decahydrate?
The canonical SMILES for 4-hydroxybenzoic acid;decahydrate is O.O.O.O.O.O.O.O.O.O.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;decahydrate?
The InChIKey is CCUFWLBBSPYMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.10H2O/c8-6-3-1-5(2-4-6)7(9)10;;;;;;;;;;/h1-4,8H,(H,9,10);10*1H2.
What are the key properties of 4-hydroxybenzoic acid;decahydrate?
4-hydroxybenzoic acid;decahydrate has a molecular weight of 318.27 g/mol, XLogP of -7.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;decahydrate is sourced from PubChem (CID 140502755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).