ethane;4-(4-hydroxyphenyl)benzoic acid

C17H22O3 — CID 91010322

IUPACethane;4-(4-hydroxyphenyl)benzoic acid
SMILESCC.CC.O=C(O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H10O3.2C2H6/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16;2*1-2/h1-8,14H,(H,15,16);2*1-2H3
InChIKeyVOWHXHZZQZHKEW-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.81
Rot. Bonds2

About ethane;4-(4-hydroxyphenyl)benzoic acid

ethane;4-(4-hydroxyphenyl)benzoic acid (PubChem CID 91010322) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethane;4-(4-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Nameethane;4-(4-hydroxyphenyl)benzoic acid
PubChem CID91010322
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Nameethane;4-(4-hydroxyphenyl)benzoic acid
SMILESCC.CC.O=C(O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H10O3.2C2H6/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16;2*1-2/h1-8,14H,(H,15,16);2*1-2H3
InChIKeyVOWHXHZZQZHKEW-UHFFFAOYSA-N
XLogP4.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
CID 139775356
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
acetamide;4-hydroxybenzoic acid
CID 67150268
N,N-dimethylmethanamine;4-hydroxybenzoic acid;hydrate;hydrobromide
CID 173466200
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
ethane;4-phenylbenzoic acid;propane
CID 156791718

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-hydroxyphenyl)benzoic acid?
The IUPAC name of ethane;4-(4-hydroxyphenyl)benzoic acid (CID 91010322) is ethane;4-(4-hydroxyphenyl)benzoic acid.
What is the SMILES notation for ethane;4-(4-hydroxyphenyl)benzoic acid?
The canonical SMILES for ethane;4-(4-hydroxyphenyl)benzoic acid is CC.CC.O=C(O)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;4-(4-hydroxyphenyl)benzoic acid?
The InChIKey is VOWHXHZZQZHKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.2C2H6/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16;2*1-2/h1-8,14H,(H,15,16);2*1-2H3.
What are the key properties of ethane;4-(4-hydroxyphenyl)benzoic acid?
ethane;4-(4-hydroxyphenyl)benzoic acid has a molecular weight of 274.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 91010322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).