benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C21H22O5 — CID 159326359

IUPACbenzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1cc(O)cc(O)c1
InChIInChI=1S/C15H16O2.C6H6O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;7-4-1-5(8)3-6(9)2-4/h3-10,16-17H,1-2H3;1-3,7-9H
InChIKeyLEKKTWJIVRWBLB-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.23
Rot. Bonds2

About benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 159326359) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Namebenzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID159326359
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Namebenzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1cc(O)cc(O)c1
InChIInChI=1S/C15H16O2.C6H6O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;7-4-1-5(8)3-6(9)2-4/h3-10,16-17H,1-2H3;1-3,7-9H
InChIKeyLEKKTWJIVRWBLB-UHFFFAOYSA-N
XLogP4.23
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.23
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
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
CID 20637487
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
4-[2-(3,5-dimethylphenyl)propan-2-yl]phenol
CID 174786384

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 159326359) is benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1cc(O)cc(O)c1.
What is the InChIKey of benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is LEKKTWJIVRWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C6H6O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;7-4-1-5(8)3-6(9)2-4/h3-10,16-17H,1-2H3;1-3,7-9H.
What are the key properties of benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 354.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 159326359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).