6-phenylmethoxyhex-1-en-3-ol

C13H18O2 — CID 11020041

IUPAC6-phenylmethoxyhex-1-en-3-ol
SMILESC=CC(O)CCCOCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChIKeyHMPNYJBASMRXRZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.53
Rot. Bonds7

About 6-phenylmethoxyhex-1-en-3-ol

6-phenylmethoxyhex-1-en-3-ol (PubChem CID 11020041) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 6-phenylmethoxyhex-1-en-3-ol.

Molecular Properties

Compound Name6-phenylmethoxyhex-1-en-3-ol
PubChem CID11020041
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name6-phenylmethoxyhex-1-en-3-ol
SMILESC=CC(O)CCCOCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChIKeyHMPNYJBASMRXRZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyhex-1-en-3-ol?
The IUPAC name of 6-phenylmethoxyhex-1-en-3-ol (CID 11020041) is 6-phenylmethoxyhex-1-en-3-ol.
What is the SMILES notation for 6-phenylmethoxyhex-1-en-3-ol?
The canonical SMILES for 6-phenylmethoxyhex-1-en-3-ol is C=CC(O)CCCOCc1ccccc1.
What is the InChIKey of 6-phenylmethoxyhex-1-en-3-ol?
The InChIKey is HMPNYJBASMRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2.
What are the key properties of 6-phenylmethoxyhex-1-en-3-ol?
6-phenylmethoxyhex-1-en-3-ol has a molecular weight of 206.28 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyhex-1-en-3-ol is sourced from PubChem (CID 11020041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).