2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol

C22H22O5 — CID 174517600

IUPAC2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccccc1O)c1ccccc1O.O=C(O)c1ccccc1O
InChIInChI=1S/C15H16O2.C7H6O3/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17;8-6-4-2-1-3-5(6)7(9)10/h3-10,16-17H,1-2H3;1-4,8H,(H,9,10)
InChIKeyAFOBUANCNPIPDW-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.51
Rot. Bonds3

About 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol

2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 174517600) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
PubChem CID174517600
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccccc1O)c1ccccc1O.O=C(O)c1ccccc1O
InChIInChI=1S/C15H16O2.C7H6O3/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17;8-6-4-2-1-3-5(6)7(9)10/h3-10,16-17H,1-2H3;1-4,8H,(H,9,10)
InChIKeyAFOBUANCNPIPDW-UHFFFAOYSA-N
XLogP4.51
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol (CID 174517600) is 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccccc1O)c1ccccc1O.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is AFOBUANCNPIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C7H6O3/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17;8-6-4-2-1-3-5(6)7(9)10/h3-10,16-17H,1-2H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol?
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 366.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 174517600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).