1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene

C14H18O — CID 134968527

IUPAC1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene
SMILESC=C(C)[C@@]1(C)C[C@@H]1c1ccccc1OC
InChIInChI=1S/C14H18O/c1-10(2)14(3)9-12(14)11-7-5-6-8-13(11)15-4/h5-8,12H,1,9H2,2-4H3/t12-,14-/m1/s1
InChIKeyYPKOQQSIYRYBMJ-TZMCWYRMSA-N
MW202.30 g/mol
LogP3.76
Rot. Bonds3

About 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene

1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene (PubChem CID 134968527) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene
PubChem CID134968527
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene
SMILESC=C(C)[C@@]1(C)C[C@@H]1c1ccccc1OC
InChIInChI=1S/C14H18O/c1-10(2)14(3)9-12(14)11-7-5-6-8-13(11)15-4/h5-8,12H,1,9H2,2-4H3/t12-,14-/m1/s1
InChIKeyYPKOQQSIYRYBMJ-TZMCWYRMSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene?
The IUPAC name of 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene (CID 134968527) is 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene?
The canonical SMILES for 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene is C=C(C)[C@@]1(C)C[C@@H]1c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene?
The InChIKey is YPKOQQSIYRYBMJ-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)14(3)9-12(14)11-7-5-6-8-13(11)15-4/h5-8,12H,1,9H2,2-4H3/t12-,14-/m1/s1.
What are the key properties of 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene?
1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene has a molecular weight of 202.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene is sourced from PubChem (CID 134968527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).