2-propan-2-ylphenol;prop-2-enylbenzene

C18H22O — CID 175237789

IUPAC2-propan-2-ylphenol;prop-2-enylbenzene
SMILESC=CCc1ccccc1.CC(C)c1ccccc1O
InChIInChI=1S/C9H12O.C9H10/c1-7(2)8-5-3-4-6-9(8)10;1-2-6-9-7-4-3-5-8-9/h3-7,10H,1-2H3;2-5,7-8H,1,6H2
InChIKeyZNIXYYNHFKTFRA-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.93
Rot. Bonds3

About 2-propan-2-ylphenol;prop-2-enylbenzene

2-propan-2-ylphenol;prop-2-enylbenzene (PubChem CID 175237789) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-propan-2-ylphenol;prop-2-enylbenzene.

Molecular Properties

Compound Name2-propan-2-ylphenol;prop-2-enylbenzene
PubChem CID175237789
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-propan-2-ylphenol;prop-2-enylbenzene
SMILESC=CCc1ccccc1.CC(C)c1ccccc1O
InChIInChI=1S/C9H12O.C9H10/c1-7(2)8-5-3-4-6-9(8)10;1-2-6-9-7-4-3-5-8-9/h3-7,10H,1-2H3;2-5,7-8H,1,6H2
InChIKeyZNIXYYNHFKTFRA-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

propan-2-amine;prop-2-enylbenzene
CID 66809896
prop-2-enylbenzene
CID 159998516
2-propan-2-ylphenol;styrene
CID 161412520
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
methane;phenol;bis(2-propan-2-ylphenol)
CID 162153244
pentane;prop-2-enylbenzene
CID 90884247

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylphenol;prop-2-enylbenzene?
The IUPAC name of 2-propan-2-ylphenol;prop-2-enylbenzene (CID 175237789) is 2-propan-2-ylphenol;prop-2-enylbenzene.
What is the SMILES notation for 2-propan-2-ylphenol;prop-2-enylbenzene?
The canonical SMILES for 2-propan-2-ylphenol;prop-2-enylbenzene is C=CCc1ccccc1.CC(C)c1ccccc1O.
What is the InChIKey of 2-propan-2-ylphenol;prop-2-enylbenzene?
The InChIKey is ZNIXYYNHFKTFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C9H10/c1-7(2)8-5-3-4-6-9(8)10;1-2-6-9-7-4-3-5-8-9/h3-7,10H,1-2H3;2-5,7-8H,1,6H2.
What are the key properties of 2-propan-2-ylphenol;prop-2-enylbenzene?
2-propan-2-ylphenol;prop-2-enylbenzene has a molecular weight of 254.37 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylphenol;prop-2-enylbenzene is sourced from PubChem (CID 175237789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).