1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol

C13H18O2 — CID 114473769

IUPAC1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-10(2)4-9-13(14)11-5-7-12(15-3)8-6-11/h5-8,13-14H,1,4,9H2,2-3H3
InChIKeyJUURLQDDAKYNCS-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol

1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol (PubChem CID 114473769) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
PubChem CID114473769
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-10(2)4-9-13(14)11-5-7-12(15-3)8-6-11/h5-8,13-14H,1,4,9H2,2-3H3
InChIKeyJUURLQDDAKYNCS-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.08
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-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
CID 115834477
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol
CID 106848426
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
methyl 4-hydroxy-4-[4-(2-methylprop-2-enoxy)phenyl]butanoate
CID 82347062
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
CID 115001584

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol (CID 114473769) is 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol?
The InChIKey is JUURLQDDAKYNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)4-9-13(14)11-5-7-12(15-3)8-6-11/h5-8,13-14H,1,4,9H2,2-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol?
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 114473769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).