2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol

C13H18O2 — CID 102641849

IUPAC2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)Cc1cccc(OC)c1
InChIInChI=1S/C13H18O2/c1-4-13(2,10-14)9-11-6-5-7-12(8-11)15-3/h4-8,14H,1,9-10H2,2-3H3
InChIKeyIMXIIFHAFMGJBU-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.42
Rot. Bonds5

About 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol

2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol (PubChem CID 102641849) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol
PubChem CID102641849
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)Cc1cccc(OC)c1
InChIInChI=1S/C13H18O2/c1-4-13(2,10-14)9-11-6-5-7-12(8-11)15-3/h4-8,14H,1,9-10H2,2-3H3
InChIKeyIMXIIFHAFMGJBU-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
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2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
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1-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol (CID 102641849) is 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol is C=CC(C)(CO)Cc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol?
The InChIKey is IMXIIFHAFMGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-13(2,10-14)9-11-6-5-7-12(8-11)15-3/h4-8,14H,1,9-10H2,2-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol?
2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol is sourced from PubChem (CID 102641849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).