ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol

C23H38O2 — CID 144897116

IUPACethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
SMILESCC.CC.CC(C)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CO
InChIInChI=1S/C18H22O.2C2H6.CH4O/c1-13(2)14-5-7-15(8-6-14)18(3,4)16-9-11-17(19)12-10-16;3*1-2/h5-13,19H,1-4H3;2*1-2H3;2H,1H3
InChIKeyJFDBFMQRORBNLR-UHFFFAOYSA-N
MW346.56 g/mol
LogP6.50
Rot. Bonds3

About ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol

ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol (PubChem CID 144897116) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Nameethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
PubChem CID144897116
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Nameethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
SMILESCC.CC.CC(C)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CO
InChIInChI=1S/C18H22O.2C2H6.CH4O/c1-13(2)14-5-7-15(8-6-14)18(3,4)16-9-11-17(19)12-10-16;3*1-2/h5-13,19H,1-4H3;2*1-2H3;2H,1H3
InChIKeyJFDBFMQRORBNLR-UHFFFAOYSA-N
XLogP6.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol?
The IUPAC name of ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol (CID 144897116) is ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol.
What is the SMILES notation for ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol?
The canonical SMILES for ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol is CC.CC.CC(C)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CO.
What is the InChIKey of ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol?
The InChIKey is JFDBFMQRORBNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O.2C2H6.CH4O/c1-13(2)14-5-7-15(8-6-14)18(3,4)16-9-11-17(19)12-10-16;3*1-2/h5-13,19H,1-4H3;2*1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol?
ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol has a molecular weight of 346.56 g/mol, XLogP of 6.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 144897116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).