4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate

C27H24O5 — CID 161066269

IUPAC4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
SMILESCOC(=O)Oc1ccc(-c2ccc(C)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O3.C12H10O2/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18-15(16)17-2;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-10H,1-2H3;1-8,13-14H
InChIKeyUEBGTVHIVJCAIK-UHFFFAOYSA-N
MW428.48 g/mol
LogP6.57
Rot. Bonds3

About 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate

4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate (PubChem CID 161066269) has the molecular formula C27H24O5 and a molecular weight of 428.48 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
PubChem CID161066269
Molecular FormulaC27H24O5
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
SMILESCOC(=O)Oc1ccc(-c2ccc(C)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14O3.C12H10O2/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18-15(16)17-2;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-10H,1-2H3;1-8,13-14H
InChIKeyUEBGTVHIVJCAIK-UHFFFAOYSA-N
XLogP6.57
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxycarbonyloxyphenyl)benzoic acid
CID 18328408
bis(4-methylphenyl) carbonate;ethane
CID 145416039
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol
CID 158199044
hydroxy (4-methylphenyl) carbonate
CID 142152558
4-methoxyphenol;4-methylphenol
CID 158312507
[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate
CID 19166233
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
ethane;4-(4-methylphenyl)phenol
CID 161379556
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate
CID 158116002

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate?
The IUPAC name of 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate (CID 161066269) is 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate.
What is the SMILES notation for 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate?
The canonical SMILES for 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate is COC(=O)Oc1ccc(-c2ccc(C)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate?
The InChIKey is UEBGTVHIVJCAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C12H10O2/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18-15(16)17-2;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-10H,1-2H3;1-8,13-14H.
What are the key properties of 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate?
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate has a molecular weight of 428.48 g/mol, XLogP of 6.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate is sourced from PubChem (CID 161066269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).