2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol

C28H26Cl2O4 — CID 67724920

IUPAC2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
SMILESCC(C)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14Cl2O2.C13H12O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-8,18-19H,1-2H3;1-8,14-15H,9H2
InChIKeyYMBITCKEOHYMST-UHFFFAOYSA-N
MW497.42 g/mol
LogP7.42
Rot. Bonds4

About 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol

2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol (PubChem CID 67724920) has the molecular formula C28H26Cl2O4 and a molecular weight of 497.42 g/mol. Its IUPAC name is 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
PubChem CID67724920
Molecular FormulaC28H26Cl2O4
Molecular Weight497.42 g/mol
Exact Mass496.12
IUPAC Name2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
SMILESCC(C)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14Cl2O2.C13H12O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-8,18-19H,1-2H3;1-8,14-15H,9H2
InChIKeyYMBITCKEOHYMST-UHFFFAOYSA-N
XLogP7.42
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.42
LogP ≤ 57.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
CID 139601186
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 161473279
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158530315
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
CID 150655549
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[2-[3-chloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenol
CID 145119525
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol (CID 67724920) is 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol is CC(C)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.Oc1ccc(Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol?
The InChIKey is YMBITCKEOHYMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2.C13H12O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-8,18-19H,1-2H3;1-8,14-15H,9H2.
What are the key properties of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol?
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol has a molecular weight of 497.42 g/mol, XLogP of 7.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 67724920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).