1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol

C21H22O2 — CID 174751633

IUPAC1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
SMILESCCc1ccccc1C.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.C9H12/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-9-7-5-4-6-8(9)2/h1-8,13-14H;4-7H,3H2,1-2H3
InChIKeyISFCFXDSQXXCEQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.32
Rot. Bonds2

About 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol

1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol (PubChem CID 174751633) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
PubChem CID174751633
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
SMILESCCc1ccccc1C.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.C9H12/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-9-7-5-4-6-8(9)2/h1-8,13-14H;4-7H,3H2,1-2H3
InChIKeyISFCFXDSQXXCEQ-UHFFFAOYSA-N
XLogP5.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-methylbenzene;phenol
CID 161311856
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
4-(2,6-diethylphenyl)phenol
CID 21281287
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
4-[(2-methylphenyl)methylsulfanyl]phenol
CID 60865685
N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol?
The IUPAC name of 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol (CID 174751633) is 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol is CCc1ccccc1C.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol?
The InChIKey is ISFCFXDSQXXCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C9H12/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-9-7-5-4-6-8(9)2/h1-8,13-14H;4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol?
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol has a molecular weight of 306.41 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 174751633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).