6-phenylmethoxyhept-1-en-4-ol

C14H20O2 — CID 561858

IUPAC6-phenylmethoxyhept-1-en-4-ol
SMILESC=CCC(O)CC(C)OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-14(15)10-12(2)16-11-13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10-11H2,2H3
InChIKeyUCBRUQGFKILSTQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.92
Rot. Bonds7

About 6-phenylmethoxyhept-1-en-4-ol

6-phenylmethoxyhept-1-en-4-ol (PubChem CID 561858) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-phenylmethoxyhept-1-en-4-ol.

Molecular Properties

Compound Name6-phenylmethoxyhept-1-en-4-ol
PubChem CID561858
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-phenylmethoxyhept-1-en-4-ol
SMILESC=CCC(O)CC(C)OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-14(15)10-12(2)16-11-13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10-11H2,2H3
InChIKeyUCBRUQGFKILSTQ-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyhept-1-en-4-ol?
The IUPAC name of 6-phenylmethoxyhept-1-en-4-ol (CID 561858) is 6-phenylmethoxyhept-1-en-4-ol.
What is the SMILES notation for 6-phenylmethoxyhept-1-en-4-ol?
The canonical SMILES for 6-phenylmethoxyhept-1-en-4-ol is C=CCC(O)CC(C)OCc1ccccc1.
What is the InChIKey of 6-phenylmethoxyhept-1-en-4-ol?
The InChIKey is UCBRUQGFKILSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-14(15)10-12(2)16-11-13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10-11H2,2H3.
What are the key properties of 6-phenylmethoxyhept-1-en-4-ol?
6-phenylmethoxyhept-1-en-4-ol has a molecular weight of 220.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyhept-1-en-4-ol is sourced from PubChem (CID 561858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).