2-phenylmethoxyhex-5-en-3-ol

C13H18O2 — CID 13183408

IUPAC2-phenylmethoxyhex-5-en-3-ol
SMILESC=CCC(O)C(C)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-7-13(14)11(2)15-10-12-8-5-4-6-9-12/h3-6,8-9,11,13-14H,1,7,10H2,2H3
InChIKeyWHJDLQGVVYDCOC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.53
Rot. Bonds6

About 2-phenylmethoxyhex-5-en-3-ol

2-phenylmethoxyhex-5-en-3-ol (PubChem CID 13183408) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-phenylmethoxyhex-5-en-3-ol.

Molecular Properties

Compound Name2-phenylmethoxyhex-5-en-3-ol
PubChem CID13183408
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-phenylmethoxyhex-5-en-3-ol
SMILESC=CCC(O)C(C)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-7-13(14)11(2)15-10-12-8-5-4-6-9-12/h3-6,8-9,11,13-14H,1,7,10H2,2H3
InChIKeyWHJDLQGVVYDCOC-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

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
Benzyl ethyl ether
CID 10873
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
2-(Benzyloxy) ethanol
CID 12141
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyhex-5-en-3-ol?
The IUPAC name of 2-phenylmethoxyhex-5-en-3-ol (CID 13183408) is 2-phenylmethoxyhex-5-en-3-ol.
What is the SMILES notation for 2-phenylmethoxyhex-5-en-3-ol?
The canonical SMILES for 2-phenylmethoxyhex-5-en-3-ol is C=CCC(O)C(C)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyhex-5-en-3-ol?
The InChIKey is WHJDLQGVVYDCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-7-13(14)11(2)15-10-12-8-5-4-6-9-12/h3-6,8-9,11,13-14H,1,7,10H2,2H3.
What are the key properties of 2-phenylmethoxyhex-5-en-3-ol?
2-phenylmethoxyhex-5-en-3-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 2-phenylmethoxyhex-5-en-3-ol is sourced from PubChem (CID 13183408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).