2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol

C13H18O2 — CID 79334417

IUPAC2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol
SMILESCCC(=Cc1cccc(COC)c1)CO
InChIInChI=1S/C13H18O2/c1-3-11(9-14)7-12-5-4-6-13(8-12)10-15-2/h4-8,14H,3,9-10H2,1-2H3
InChIKeyXSGWPLCLCLNTLO-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.62
Rot. Bonds5

About 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol

2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol (PubChem CID 79334417) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol
PubChem CID79334417
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol
SMILESCCC(=Cc1cccc(COC)c1)CO
InChIInChI=1S/C13H18O2/c1-3-11(9-14)7-12-5-4-6-13(8-12)10-15-2/h4-8,14H,3,9-10H2,1-2H3
InChIKeyXSGWPLCLCLNTLO-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)but-1-enyl]-3-(methoxymethyl)benzene
CID 79323129
2-[[3-(methoxymethyl)phenyl]methylidene]-3-methylbutanal
CID 79334388
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-[(2,6-dichlorophenyl)methylidene]butan-1-ol
CID 79335321
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
hydroperoxymethane;methoxymethylbenzene;propane
CID 91284821
(E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol
CID 71012788
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
(3-formylphenyl)methyl propanoate
CID 121217637
2-(furan-3-ylmethylidene)butan-1-ol
CID 79334413
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol (CID 79334417) is 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol is CCC(=Cc1cccc(COC)c1)CO.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol?
The InChIKey is XSGWPLCLCLNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-11(9-14)7-12-5-4-6-13(8-12)10-15-2/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol?
2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylidene]butan-1-ol is sourced from PubChem (CID 79334417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).