7-phenoxyheptan-1-ol

C13H20O2 — CID 15856264

IUPAC7-phenoxyheptan-1-ol
SMILESOCCCCCCCOc1ccccc1
InChIInChI=1S/C13H20O2/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,14H,1-3,7-8,11-12H2
InChIKeyGUNZAHOBQCYTQZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.01
Rot. Bonds8

About 7-phenoxyheptan-1-ol

7-phenoxyheptan-1-ol (PubChem CID 15856264) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 7-phenoxyheptan-1-ol.

Molecular Properties

Compound Name7-phenoxyheptan-1-ol
PubChem CID15856264
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name7-phenoxyheptan-1-ol
SMILESOCCCCCCCOc1ccccc1
InChIInChI=1S/C13H20O2/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,14H,1-3,7-8,11-12H2
InChIKeyGUNZAHOBQCYTQZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.01
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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Related Compounds

5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
5-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485

Frequently Asked Questions

What is the IUPAC name of 7-phenoxyheptan-1-ol?
The IUPAC name of 7-phenoxyheptan-1-ol (CID 15856264) is 7-phenoxyheptan-1-ol.
What is the SMILES notation for 7-phenoxyheptan-1-ol?
The canonical SMILES for 7-phenoxyheptan-1-ol is OCCCCCCCOc1ccccc1.
What is the InChIKey of 7-phenoxyheptan-1-ol?
The InChIKey is GUNZAHOBQCYTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,14H,1-3,7-8,11-12H2.
What are the key properties of 7-phenoxyheptan-1-ol?
7-phenoxyheptan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxyheptan-1-ol is sourced from PubChem (CID 15856264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).