7-[2-(methoxymethoxy)phenyl]heptan-1-ol

C15H24O3 — CID 15737185

IUPAC7-[2-(methoxymethoxy)phenyl]heptan-1-ol
SMILESCOCOc1ccccc1CCCCCCCO
InChIInChI=1S/C15H24O3/c1-17-13-18-15-11-7-6-10-14(15)9-5-3-2-4-8-12-16/h6-7,10-11,16H,2-5,8-9,12-13H2,1H3
InChIKeyNNUFUCLJEUZIJA-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.15
Rot. Bonds10

About 7-[2-(methoxymethoxy)phenyl]heptan-1-ol

7-[2-(methoxymethoxy)phenyl]heptan-1-ol (PubChem CID 15737185) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 7-[2-(methoxymethoxy)phenyl]heptan-1-ol.

Molecular Properties

Compound Name7-[2-(methoxymethoxy)phenyl]heptan-1-ol
PubChem CID15737185
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name7-[2-(methoxymethoxy)phenyl]heptan-1-ol
SMILESCOCOc1ccccc1CCCCCCCO
InChIInChI=1S/C15H24O3/c1-17-13-18-15-11-7-6-10-14(15)9-5-3-2-4-8-12-16/h6-7,10-11,16H,2-5,8-9,12-13H2,1H3
InChIKeyNNUFUCLJEUZIJA-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(methoxymethoxy)phenyl]methanol
CID 10920904
2-(2-dodecylphenoxy)ethanol
CID 14475097
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
ethane-1,2-diol;ethene;1-octyl-2-(2-octylphenoxy)benzene
CID 67303058

Frequently Asked Questions

What is the IUPAC name of 7-[2-(methoxymethoxy)phenyl]heptan-1-ol?
The IUPAC name of 7-[2-(methoxymethoxy)phenyl]heptan-1-ol (CID 15737185) is 7-[2-(methoxymethoxy)phenyl]heptan-1-ol.
What is the SMILES notation for 7-[2-(methoxymethoxy)phenyl]heptan-1-ol?
The canonical SMILES for 7-[2-(methoxymethoxy)phenyl]heptan-1-ol is COCOc1ccccc1CCCCCCCO.
What is the InChIKey of 7-[2-(methoxymethoxy)phenyl]heptan-1-ol?
The InChIKey is NNUFUCLJEUZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-17-13-18-15-11-7-6-10-14(15)9-5-3-2-4-8-12-16/h6-7,10-11,16H,2-5,8-9,12-13H2,1H3.
What are the key properties of 7-[2-(methoxymethoxy)phenyl]heptan-1-ol?
7-[2-(methoxymethoxy)phenyl]heptan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methoxymethoxy)phenyl]heptan-1-ol is sourced from PubChem (CID 15737185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).