2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol

C13H18O2 — CID 79190775

IUPAC2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol
SMILESCOc1cccc(C(C)(O)C=C(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(2)9-13(3,14)11-6-5-7-12(8-11)15-4/h5-9,14H,1-4H3
InChIKeyPJSJYQADSLBTRH-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol

2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol (PubChem CID 79190775) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol
PubChem CID79190775
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol
SMILESCOc1cccc(C(C)(O)C=C(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(2)9-13(3,14)11-6-5-7-12(8-11)15-4/h5-9,14H,1-4H3
InChIKeyPJSJYQADSLBTRH-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
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CID 174577353
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
tert-butyl 2-hydroxy-2-(3-methoxyphenyl)-3-oxobutanoate
CID 122212187
3-hydroxy-3-(3-methoxyphenyl)-2,2-dimethylbutanenitrile
CID 79130927
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol?
The IUPAC name of 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol (CID 79190775) is 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol is COc1cccc(C(C)(O)C=C(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol?
The InChIKey is PJSJYQADSLBTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)9-13(3,14)11-6-5-7-12(8-11)15-4/h5-9,14H,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol?
2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methylpent-3-en-2-ol is sourced from PubChem (CID 79190775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).