2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C18H22O6 — CID 175845350

IUPAC2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(O)C(O)CO
InChIInChI=1S/C15H16O2.C3H6O4/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;4-1-2(5)3(6)7/h3-10,16-17H,1-2H3;2,4-5H,1H2,(H,6,7)
InChIKeyFPLMFSNZOHJXAF-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.85
Rot. Bonds4

About 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 175845350) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID175845350
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(O)C(O)CO
InChIInChI=1S/C15H16O2.C3H6O4/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;4-1-2(5)3(6)7/h3-10,16-17H,1-2H3;2,4-5H,1H2,(H,6,7)
InChIKeyFPLMFSNZOHJXAF-UHFFFAOYSA-N
XLogP1.85
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
(E)-5-hydroxy-2-(2-hydroxypropyl)hex-2-enoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 154825199
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 175845350) is 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is FPLMFSNZOHJXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C3H6O4/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;4-1-2(5)3(6)7/h3-10,16-17H,1-2H3;2,4-5H,1H2,(H,6,7).
What are the key properties of 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 334.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 175845350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).