benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C23H20Cl2O4 — CID 86756476

IUPACbenzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Cl)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C15H16O2.C8H4Cl2O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-7(11)5-1-2-6(4-3-5)8(10)12/h3-10,16-17H,1-2H3;1-4H
InChIKeyFHTQJRDAJTVPAD-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.87
Rot. Bonds4

About benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 86756476) has the molecular formula C23H20Cl2O4 and a molecular weight of 431.32 g/mol. Its IUPAC name is benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Namebenzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID86756476
Molecular FormulaC23H20Cl2O4
Molecular Weight431.32 g/mol
Exact Mass430.07
IUPAC Namebenzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Cl)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C15H16O2.C8H4Cl2O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-7(11)5-1-2-6(4-3-5)8(10)12/h3-10,16-17H,1-2H3;1-4H
InChIKeyFHTQJRDAJTVPAD-UHFFFAOYSA-N
XLogP5.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-dicarbonyl chloride;benzene-1,4-dicarbonyl chloride;carbonyl dichloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol
CID 170852102
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
CID 139675989
4-(2-bromopropan-2-yl)benzoyl chloride
CID 141133726
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
2-(4-hydroxyphenyl)-2,3-dimethylbutanoyl chloride
CID 117048075
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 86756476) is benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Cl)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is FHTQJRDAJTVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C8H4Cl2O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-7(11)5-1-2-6(4-3-5)8(10)12/h3-10,16-17H,1-2H3;1-4H.
What are the key properties of benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 431.32 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 86756476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).