2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol

C13H18O2 — CID 71722424

IUPAC2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(C)(O)c1ccccc1OC
InChIInChI=1S/C13H18O2/c1-10(2)9-13(3,14)11-7-5-6-8-12(11)15-4/h5-8,14H,1,9H2,2-4H3
InChIKeyKBTLZGOAGGGWNS-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol

2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol (PubChem CID 71722424) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
PubChem CID71722424
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(C)(O)c1ccccc1OC
InChIInChI=1S/C13H18O2/c1-10(2)9-13(3,14)11-7-5-6-8-12(11)15-4/h5-8,14H,1,9H2,2-4H3
InChIKeyKBTLZGOAGGGWNS-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.87
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

(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
tert-butyl (3S)-3-hydroxy-3-(2-methoxyphenyl)butanoate
CID 125467754
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
CID 79117864
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510
2-(2-methoxyphenyl)-1-piperazin-1-ylpropan-2-ol
CID 82297558
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676
2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
CID 65145061
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol?
The IUPAC name of 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol (CID 71722424) is 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol is C=C(C)CC(C)(O)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol?
The InChIKey is KBTLZGOAGGGWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)9-13(3,14)11-7-5-6-8-12(11)15-4/h5-8,14H,1,9H2,2-4H3.
What are the key properties of 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol?
2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol is sourced from PubChem (CID 71722424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).