7-phenylmethoxyheptan-1-ol

C14H22O2 — CID 11117647

IUPAC7-phenylmethoxyheptan-1-ol
SMILESOCCCCCCCOCc1ccccc1
InChIInChI=1S/C14H22O2/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10,15H,1-3,7-8,11-13H2
InChIKeyFJIOZWDOIPNGGM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds9

About 7-phenylmethoxyheptan-1-ol

7-phenylmethoxyheptan-1-ol (PubChem CID 11117647) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 7-phenylmethoxyheptan-1-ol.

Molecular Properties

Compound Name7-phenylmethoxyheptan-1-ol
PubChem CID11117647
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name7-phenylmethoxyheptan-1-ol
SMILESOCCCCCCCOCc1ccccc1
InChIInChI=1S/C14H22O2/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10,15H,1-3,7-8,11-13H2
InChIKeyFJIOZWDOIPNGGM-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxyheptan-1-ol?
The IUPAC name of 7-phenylmethoxyheptan-1-ol (CID 11117647) is 7-phenylmethoxyheptan-1-ol.
What is the SMILES notation for 7-phenylmethoxyheptan-1-ol?
The canonical SMILES for 7-phenylmethoxyheptan-1-ol is OCCCCCCCOCc1ccccc1.
What is the InChIKey of 7-phenylmethoxyheptan-1-ol?
The InChIKey is FJIOZWDOIPNGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10,15H,1-3,7-8,11-13H2.
What are the key properties of 7-phenylmethoxyheptan-1-ol?
7-phenylmethoxyheptan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxyheptan-1-ol is sourced from PubChem (CID 11117647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).