4-phenylmethoxyhex-5-en-1-ol

C13H18O2 — CID 25098808

IUPAC4-phenylmethoxyhex-5-en-1-ol
SMILESC=CC(CCCO)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-13(9-6-10-14)15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChIKeyWDQQGENRORFHSD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.53
Rot. Bonds7

About 4-phenylmethoxyhex-5-en-1-ol

4-phenylmethoxyhex-5-en-1-ol (PubChem CID 25098808) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-phenylmethoxyhex-5-en-1-ol.

Molecular Properties

Compound Name4-phenylmethoxyhex-5-en-1-ol
PubChem CID25098808
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-phenylmethoxyhex-5-en-1-ol
SMILESC=CC(CCCO)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-13(9-6-10-14)15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChIKeyWDQQGENRORFHSD-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 ≤ 500206.29
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

[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
5-hydroxy-2-phenylmethoxypentanoic acid
CID 141073018
methyl (E,4R)-8-hydroxy-4-phenylmethoxyoct-2-enoate
CID 11832740
oct-1-en-3-yloxymethoxymethylbenzene
CID 561879
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
(3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
CID 151048584
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
CID 101050867
(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol
CID 134846538
N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide
CID 166937847
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
(3R)-3-phenylmethoxyhept-6-en-1-ol
CID 70676356

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxyhex-5-en-1-ol?
The IUPAC name of 4-phenylmethoxyhex-5-en-1-ol (CID 25098808) is 4-phenylmethoxyhex-5-en-1-ol.
What is the SMILES notation for 4-phenylmethoxyhex-5-en-1-ol?
The canonical SMILES for 4-phenylmethoxyhex-5-en-1-ol is C=CC(CCCO)OCc1ccccc1.
What is the InChIKey of 4-phenylmethoxyhex-5-en-1-ol?
The InChIKey is WDQQGENRORFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-13(9-6-10-14)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 4-phenylmethoxyhex-5-en-1-ol?
4-phenylmethoxyhex-5-en-1-ol has a molecular weight of 206.29 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 4-phenylmethoxyhex-5-en-1-ol is sourced from PubChem (CID 25098808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).