1-(4-methoxyphenyl)hex-5-en-3-ol

C13H18O2 — CID 73210923

IUPAC1-(4-methoxyphenyl)hex-5-en-3-ol
SMILESC=CCC(O)CCc1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3,6-7,9-10,12,14H,1,4-5,8H2,2H3
InChIKeyLIPUDOPRHVTINZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.56
Rot. Bonds6

About 1-(4-methoxyphenyl)hex-5-en-3-ol

1-(4-methoxyphenyl)hex-5-en-3-ol (PubChem CID 73210923) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)hex-5-en-3-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)hex-5-en-3-ol
PubChem CID73210923
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-methoxyphenyl)hex-5-en-3-ol
SMILESC=CCC(O)CCc1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3,6-7,9-10,12,14H,1,4-5,8H2,2H3
InChIKeyLIPUDOPRHVTINZ-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.56
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

(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
(4S,8S)-8-[(4-methoxyphenyl)methoxy]-8-phenyloct-1-en-4-ol
CID 162393497
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol
CID 101492836
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
1-(4-methoxyphenyl)oct-7-yn-3-ol
CID 115831828
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)hex-5-en-3-ol?
The IUPAC name of 1-(4-methoxyphenyl)hex-5-en-3-ol (CID 73210923) is 1-(4-methoxyphenyl)hex-5-en-3-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)hex-5-en-3-ol?
The canonical SMILES for 1-(4-methoxyphenyl)hex-5-en-3-ol is C=CCC(O)CCc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)hex-5-en-3-ol?
The InChIKey is LIPUDOPRHVTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3,6-7,9-10,12,14H,1,4-5,8H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)hex-5-en-3-ol?
1-(4-methoxyphenyl)hex-5-en-3-ol has a molecular weight of 206.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)hex-5-en-3-ol is sourced from PubChem (CID 73210923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).