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

C15H22O — CID 23336961

IUPAC2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(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/h7-8,10-11,16H,1H2,2-6H3
InChIKeyOVVXMYBDPRBDPT-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.67
Rot. Bonds3

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

2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol (PubChem CID 23336961) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol
PubChem CID23336961
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(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/h7-8,10-11,16H,1H2,2-6H3
InChIKeyOVVXMYBDPRBDPT-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

3-phenyl-2-propan-2-yl-4-prop-1-en-2-ylphenol
CID 70579546
2-propan-2-yl-1,3-bis(prop-1-en-2-yl)benzene
CID 141209236
3,4-di(propan-2-yl)-2-prop-1-en-2-ylphenol
CID 70584876
ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol
CID 171837963
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
1,2,3,4-tetrakis(prop-1-en-2-yl)benzene
CID 19429816
3,4-difluoro-2-propan-2-ylphenol
CID 130384199
actinium;2-prop-1-en-2-ylphenol
CID 20669246
2,3,6-tris(prop-1-en-2-yl)phenol
CID 101292776
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
2,3-bis(prop-1-en-2-yl)phenol
CID 68747547
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol?
The IUPAC name of 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol (CID 23336961) is 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol.
What is the SMILES notation for 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol?
The canonical SMILES for 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol is C=C(C)c1ccc(O)c(C(C)C)c1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol?
The InChIKey is OVVXMYBDPRBDPT-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/h7-8,10-11,16H,1H2,2-6H3.
What are the key properties of 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol?
2,3-di(propan-2-yl)-4-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 2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol is sourced from PubChem (CID 23336961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).