ethane;2-(2-methylphenyl)phenol;propane

C20H32O — CID 142042568

IUPACethane;2-(2-methylphenyl)phenol;propane
SMILESCC.CC.CCC.Cc1ccccc1-c1ccccc1O
InChIInChI=1S/C13H12O.C3H8.2C2H6/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14;1-3-2;2*1-2/h2-9,14H,1H3;3H2,1-2H3;2*1-2H3
InChIKeySODPBKTWDAPIBV-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.84
Rot. Bonds1

About ethane;2-(2-methylphenyl)phenol;propane

ethane;2-(2-methylphenyl)phenol;propane (PubChem CID 142042568) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;2-(2-methylphenyl)phenol;propane.

Molecular Properties

Compound Nameethane;2-(2-methylphenyl)phenol;propane
PubChem CID142042568
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Nameethane;2-(2-methylphenyl)phenol;propane
SMILESCC.CC.CCC.Cc1ccccc1-c1ccccc1O
InChIInChI=1S/C13H12O.C3H8.2C2H6/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14;1-3-2;2*1-2/h2-9,14H,1H3;3H2,1-2H3;2*1-2H3
InChIKeySODPBKTWDAPIBV-UHFFFAOYSA-N
XLogP6.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylphenyl)phenol;propane?
The IUPAC name of ethane;2-(2-methylphenyl)phenol;propane (CID 142042568) is ethane;2-(2-methylphenyl)phenol;propane.
What is the SMILES notation for ethane;2-(2-methylphenyl)phenol;propane?
The canonical SMILES for ethane;2-(2-methylphenyl)phenol;propane is CC.CC.CCC.Cc1ccccc1-c1ccccc1O.
What is the InChIKey of ethane;2-(2-methylphenyl)phenol;propane?
The InChIKey is SODPBKTWDAPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C3H8.2C2H6/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14;1-3-2;2*1-2/h2-9,14H,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(2-methylphenyl)phenol;propane?
ethane;2-(2-methylphenyl)phenol;propane has a molecular weight of 288.48 g/mol, XLogP of 6.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylphenyl)phenol;propane is sourced from PubChem (CID 142042568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).