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

C16H18Cl2O2 — CID 158726740

IUPACdichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.ClCCl
InChIInChI=1S/C15H16O2.CH2Cl2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;2-1-3/h3-10,16-17H,1-2H3;1H2
InChIKeyIKPBVCHERBPYPU-UHFFFAOYSA-N
MW313.22 g/mol
LogP4.85
Rot. Bonds2

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

dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 158726740) has the molecular formula C16H18Cl2O2 and a molecular weight of 313.22 g/mol. Its IUPAC name is dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Namedichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID158726740
Molecular FormulaC16H18Cl2O2
Molecular Weight313.22 g/mol
Exact Mass312.07
IUPAC Namedichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.ClCCl
InChIInChI=1S/C15H16O2.CH2Cl2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;2-1-3/h3-10,16-17H,1-2H3;1H2
InChIKeyIKPBVCHERBPYPU-UHFFFAOYSA-N
XLogP4.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
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
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 174746011

Frequently Asked Questions

What is the IUPAC name of dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 158726740) is dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.ClCCl.
What is the InChIKey of dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is IKPBVCHERBPYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.CH2Cl2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;2-1-3/h3-10,16-17H,1-2H3;1H2.
What are the key properties of dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 313.22 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 158726740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).