4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C45H48O6 — CID 139039989

IUPAC4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/3C15H16O2/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3*3-10,16-17H,1-2H3
InChIKeyJVXZTTSCHXJSKF-UHFFFAOYSA-N
MW684.87 g/mol
LogP10.27
Rot. Bonds6

About 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 139039989) has the molecular formula C45H48O6 and a molecular weight of 684.87 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID139039989
Molecular FormulaC45H48O6
Molecular Weight684.87 g/mol
Exact Mass684.35
IUPAC Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/3C15H16O2/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3*3-10,16-17H,1-2H3
InChIKeyJVXZTTSCHXJSKF-UHFFFAOYSA-N
XLogP10.27
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500684.87
LogP ≤ 510.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 139039989) is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is JVXZTTSCHXJSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H16O2/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3*3-10,16-17H,1-2H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 684.87 g/mol, XLogP of 10.27, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 139039989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).