1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene

C13H18O — CID 173233215

IUPAC1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene
SMILESC=C(C)OCc1ccccc1C(C)C
InChIInChI=1S/C13H18O/c1-10(2)13-8-6-5-7-12(13)9-14-11(3)4/h5-8,10H,3,9H2,1-2,4H3
InChIKeyQYQHEAXPFVQYPE-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.86
Rot. Bonds4

About 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene

1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene (PubChem CID 173233215) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene
PubChem CID173233215
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene
SMILESC=C(C)OCc1ccccc1C(C)C
InChIInChI=1S/C13H18O/c1-10(2)13-8-6-5-7-12(13)9-14-11(3)4/h5-8,10H,3,9H2,1-2,4H3
InChIKeyQYQHEAXPFVQYPE-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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1-propan-2-yl-2-prop-1-en-2-yloxybenzene
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CID 173166794
CID 173166794
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CID 21115419
1-benzyl-2-propan-2-ylbenzene
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2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
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2-(2-propan-2-ylphenyl)ethyl prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene?
The IUPAC name of 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene (CID 173233215) is 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene.
What is the SMILES notation for 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene?
The canonical SMILES for 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene is C=C(C)OCc1ccccc1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene?
The InChIKey is QYQHEAXPFVQYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)13-8-6-5-7-12(13)9-14-11(3)4/h5-8,10H,3,9H2,1-2,4H3.
What are the key properties of 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene?
1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene has a molecular weight of 190.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene is sourced from PubChem (CID 173233215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).