3-[3-(methoxymethyl)phenyl]propan-1-ol

C11H16O2 — CID 117278462

IUPAC3-[3-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cccc(CCCO)c1
InChIInChI=1S/C11H16O2/c1-13-9-11-5-2-4-10(8-11)6-3-7-12/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyAFEYFBISKJBKFY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.76
Rot. Bonds5

About 3-[3-(methoxymethyl)phenyl]propan-1-ol

3-[3-(methoxymethyl)phenyl]propan-1-ol (PubChem CID 117278462) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenyl]propan-1-ol
PubChem CID117278462
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-[3-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1cccc(CCCO)c1
InChIInChI=1S/C11H16O2/c1-13-9-11-5-2-4-10(8-11)6-3-7-12/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyAFEYFBISKJBKFY-UHFFFAOYSA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[3-(bromomethyl)phenyl]propan-1-ol
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CID 54065687
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
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3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
methyl 3-[6-[3-(3-hydroxypropyl)phenyl]hexyl]benzoate
CID 10043723
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
CID 113374449
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
3-(3-aminophenyl)propan-1-ol
CID 10103334

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(methoxymethyl)phenyl]propan-1-ol (CID 117278462) is 3-[3-(methoxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(methoxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(methoxymethyl)phenyl]propan-1-ol is COCc1cccc(CCCO)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenyl]propan-1-ol?
The InChIKey is AFEYFBISKJBKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-13-9-11-5-2-4-10(8-11)6-3-7-12/h2,4-5,8,12H,3,6-7,9H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)phenyl]propan-1-ol?
3-[3-(methoxymethyl)phenyl]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117278462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).