2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane

C16H26O — CID 145399569

IUPAC2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane
SMILESCC.Cc1cc(CC2CC2)c(O)c(C(C)C)c1
InChIInChI=1S/C14H20O.C2H6/c1-9(2)13-7-10(3)6-12(14(13)15)8-11-4-5-11;1-2/h6-7,9,11,15H,4-5,8H2,1-3H3;1-2H3
InChIKeyYPLKLMLDFLSTPH-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.80
Rot. Bonds3

About 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane

2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane (PubChem CID 145399569) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane
PubChem CID145399569
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane
SMILESCC.Cc1cc(CC2CC2)c(O)c(C(C)C)c1
InChIInChI=1S/C14H20O.C2H6/c1-9(2)13-7-10(3)6-12(14(13)15)8-11-4-5-11;1-2/h6-7,9,11,15H,4-5,8H2,1-3H3;1-2H3
InChIKeyYPLKLMLDFLSTPH-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane?
The IUPAC name of 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane (CID 145399569) is 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane?
The canonical SMILES for 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane is CC.Cc1cc(CC2CC2)c(O)c(C(C)C)c1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane?
The InChIKey is YPLKLMLDFLSTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C2H6/c1-9(2)13-7-10(3)6-12(14(13)15)8-11-4-5-11;1-2/h6-7,9,11,15H,4-5,8H2,1-3H3;1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane?
2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane has a molecular weight of 234.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane is sourced from PubChem (CID 145399569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).