ethane;4-(4-methylphenyl)phenol

C17H24O — CID 161379556

IUPACethane;4-(4-methylphenyl)phenol
SMILESCC.CC.Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O.2C2H6/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;2*1-2/h2-9,14H,1H3;2*1-2H3
InChIKeyVRNREAVNWZKLOX-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.42
Rot. Bonds1

About ethane;4-(4-methylphenyl)phenol

ethane;4-(4-methylphenyl)phenol (PubChem CID 161379556) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;4-(4-methylphenyl)phenol.

Molecular Properties

Compound Nameethane;4-(4-methylphenyl)phenol
PubChem CID161379556
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Nameethane;4-(4-methylphenyl)phenol
SMILESCC.CC.Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O.2C2H6/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;2*1-2/h2-9,14H,1H3;2*1-2H3
InChIKeyVRNREAVNWZKLOX-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methylphenyl)phenol?
The IUPAC name of ethane;4-(4-methylphenyl)phenol (CID 161379556) is ethane;4-(4-methylphenyl)phenol.
What is the SMILES notation for ethane;4-(4-methylphenyl)phenol?
The canonical SMILES for ethane;4-(4-methylphenyl)phenol is CC.CC.Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;4-(4-methylphenyl)phenol?
The InChIKey is VRNREAVNWZKLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.2C2H6/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;2*1-2/h2-9,14H,1H3;2*1-2H3.
What are the key properties of ethane;4-(4-methylphenyl)phenol?
ethane;4-(4-methylphenyl)phenol has a molecular weight of 244.38 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylphenyl)phenol is sourced from PubChem (CID 161379556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).