(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol

C13H18O3 — CID 11673005

IUPAC(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
SMILESC=CC[C@H](CO)OCc1ccc(OC)cc1
InChIInChI=1S/C13H18O3/c1-3-4-13(9-14)16-10-11-5-7-12(15-2)8-6-11/h3,5-8,13-14H,1,4,9-10H2,2H3/t13-/m1/s1
InChIKeyVQUBFINRHDQFSQ-CYBMUJFWSA-N
MW222.28 g/mol
LogP2.15
Rot. Bonds7

About (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol

(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol (PubChem CID 11673005) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
PubChem CID11673005
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
SMILESC=CC[C@H](CO)OCc1ccc(OC)cc1
InChIInChI=1S/C13H18O3/c1-3-4-13(9-14)16-10-11-5-7-12(15-2)8-6-11/h3,5-8,13-14H,1,4,9-10H2,2H3/t13-/m1/s1
InChIKeyVQUBFINRHDQFSQ-CYBMUJFWSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
2-[(4-methoxyphenyl)methoxy]propane-1,3-diol;bis(4-methylbenzenethiol)
CID 170714437
(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol
CID 140533860
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
(4S,8S)-8-[(4-methoxyphenyl)methoxy]-8-phenyloct-1-en-4-ol
CID 162393497
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
(3S)-4-hydroxy-3-[(2S,3R,4S)-4-[(4-methoxyphenyl)methoxy]-2-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-3-yl]oxybutanenitrile
CID 101411245
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol (CID 11673005) is (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol is C=CC[C@H](CO)OCc1ccc(OC)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol?
The InChIKey is VQUBFINRHDQFSQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-4-13(9-14)16-10-11-5-7-12(15-2)8-6-11/h3,5-8,13-14H,1,4,9-10H2,2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol?
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol is sourced from PubChem (CID 11673005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).