3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol

C15H22O — CID 70584876

IUPAC3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1c(O)ccc(C(C)C)c1C(C)C
InChIInChI=1S/C15H22O/c1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4/h7-10,16H,5H2,1-4,6H3
InChIKeyUMQPIDPQGFDFRL-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.67
Rot. Bonds3

About 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol

3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol (PubChem CID 70584876) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol
PubChem CID70584876
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1c(O)ccc(C(C)C)c1C(C)C
InChIInChI=1S/C15H22O/c1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4/h7-10,16H,5H2,1-4,6H3
InChIKeyUMQPIDPQGFDFRL-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol
CID 23336961
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
2-(aminomethyl)-4-butan-2-yl-3-prop-1-en-2-ylphenol
CID 170086496
2,3-bis(prop-1-en-2-yl)phenol
CID 68747547
2-propan-2-yl-1,3-bis(prop-1-en-2-yl)benzene
CID 141209236
2-(1-hydroxyethyl)-3,6-di(propan-2-yl)phenol
CID 117318735
3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol
CID 70579546
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
sodium 2-hydroxy-3,4-di(propan-2-yl)benzoate
CID 159643835

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol?
The IUPAC name of 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol (CID 70584876) is 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol.
What is the SMILES notation for 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol?
The canonical SMILES for 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol is C=C(C)c1c(O)ccc(C(C)C)c1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol?
The InChIKey is UMQPIDPQGFDFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)12-7-8-13(16)15(11(5)6)14(12)10(3)4/h7-10,16H,5H2,1-4,6H3.
What are the key properties of 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol?
3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol has a molecular weight of 218.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol is sourced from PubChem (CID 70584876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).