3-[3-(methoxymethyl)phenoxy]heptan-4-ol

C15H24O3 — CID 63984608

IUPAC3-[3-(methoxymethyl)phenoxy]heptan-4-ol
SMILESCCCC(O)C(CC)Oc1cccc(COC)c1
InChIInChI=1S/C15H24O3/c1-4-7-14(16)15(5-2)18-13-9-6-8-12(10-13)11-17-3/h6,8-10,14-16H,4-5,7,11H2,1-3H3
InChIKeyBULJTNRTGYJMKF-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.15
Rot. Bonds8

About 3-[3-(methoxymethyl)phenoxy]heptan-4-ol

3-[3-(methoxymethyl)phenoxy]heptan-4-ol (PubChem CID 63984608) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]heptan-4-ol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]heptan-4-ol
PubChem CID63984608
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-[3-(methoxymethyl)phenoxy]heptan-4-ol
SMILESCCCC(O)C(CC)Oc1cccc(COC)c1
InChIInChI=1S/C15H24O3/c1-4-7-14(16)15(5-2)18-13-9-6-8-12(10-13)11-17-3/h6,8-10,14-16H,4-5,7,11H2,1-3H3
InChIKeyBULJTNRTGYJMKF-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
CID 116711612
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
1-(3-ethylphenoxy)ethanol
CID 66709778
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]heptan-4-ol?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]heptan-4-ol (CID 63984608) is 3-[3-(methoxymethyl)phenoxy]heptan-4-ol.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]heptan-4-ol?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]heptan-4-ol is CCCC(O)C(CC)Oc1cccc(COC)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]heptan-4-ol?
The InChIKey is BULJTNRTGYJMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-7-14(16)15(5-2)18-13-9-6-8-12(10-13)11-17-3/h6,8-10,14-16H,4-5,7,11H2,1-3H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]heptan-4-ol?
3-[3-(methoxymethyl)phenoxy]heptan-4-ol has a molecular weight of 252.35 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]heptan-4-ol is sourced from PubChem (CID 63984608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).