3-phenylmethoxyhex-4-en-1-ol

C13H18O2 — CID 71334809

IUPAC3-phenylmethoxyhex-4-en-1-ol
SMILESCC=CC(CCO)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-6-13(9-10-14)15-11-12-7-4-3-5-8-12/h2-8,13-14H,9-11H2,1H3
InChIKeyWHOVHNYWPRECEW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.53
Rot. Bonds6

About 3-phenylmethoxyhex-4-en-1-ol

3-phenylmethoxyhex-4-en-1-ol (PubChem CID 71334809) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-phenylmethoxyhex-4-en-1-ol.

Molecular Properties

Compound Name3-phenylmethoxyhex-4-en-1-ol
PubChem CID71334809
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-phenylmethoxyhex-4-en-1-ol
SMILESCC=CC(CCO)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-6-13(9-10-14)15-11-12-7-4-3-5-8-12/h2-8,13-14H,9-11H2,1H3
InChIKeyWHOVHNYWPRECEW-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581
(3S,4E,6E)-9-(methoxymethoxy)-3-phenylmethoxynona-4,6-dien-1-ol
CID 11232033
methyl (E,4R)-8-hydroxy-4-phenylmethoxyoct-2-enoate
CID 11832740
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
3-methoxyhex-4-enylbenzene
CID 71364959
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol
CID 11150405
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
CID 101050867
(3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
CID 151048584

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyhex-4-en-1-ol?
The IUPAC name of 3-phenylmethoxyhex-4-en-1-ol (CID 71334809) is 3-phenylmethoxyhex-4-en-1-ol.
What is the SMILES notation for 3-phenylmethoxyhex-4-en-1-ol?
The canonical SMILES for 3-phenylmethoxyhex-4-en-1-ol is CC=CC(CCO)OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxyhex-4-en-1-ol?
The InChIKey is WHOVHNYWPRECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-6-13(9-10-14)15-11-12-7-4-3-5-8-12/h2-8,13-14H,9-11H2,1H3.
What are the key properties of 3-phenylmethoxyhex-4-en-1-ol?
3-phenylmethoxyhex-4-en-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyhex-4-en-1-ol is sourced from PubChem (CID 71334809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).