4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol

C21H30O5 — CID 159669536

IUPAC4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(O)COC(C)CO
InChIInChI=1S/C15H16O2.C6H14O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-5(8)4-9-6(2)3-7/h3-10,16-17H,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyMTVBFMDVUQXFSU-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.19
Rot. Bonds6

About 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol (PubChem CID 159669536) has the molecular formula C21H30O5 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol
PubChem CID159669536
Molecular FormulaC21H30O5
Molecular Weight362.47 g/mol
Exact Mass362.21
IUPAC Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(O)COC(C)CO
InChIInChI=1S/C15H16O2.C6H14O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-5(8)4-9-6(2)3-7/h3-10,16-17H,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyMTVBFMDVUQXFSU-UHFFFAOYSA-N
XLogP3.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol (CID 159669536) is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(O)COC(C)CO.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol?
The InChIKey is MTVBFMDVUQXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C6H14O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-5(8)4-9-6(2)3-7/h3-10,16-17H,1-2H3;5-8H,3-4H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol?
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol has a molecular weight of 362.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 159669536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).