3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol

C13H18O2 — CID 102102749

IUPAC3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol
SMILESCOc1cccc(C(CCO)=C(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(2)13(7-8-14)11-5-4-6-12(9-11)15-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeySRPXPOXOGOQSLK-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol

3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol (PubChem CID 102102749) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol
PubChem CID102102749
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol
SMILESCOc1cccc(C(CCO)=C(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(2)13(7-8-14)11-5-4-6-12(9-11)15-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeySRPXPOXOGOQSLK-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

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Related Compounds

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1-(1-iodoethenyl)-3-methoxybenzene
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1-methoxy-3-pent-2-en-3-ylbenzene
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1-(3-methoxyphenyl)propan-1-one;propane
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol?
The IUPAC name of 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol (CID 102102749) is 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol?
The canonical SMILES for 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol is COc1cccc(C(CCO)=C(C)C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol?
The InChIKey is SRPXPOXOGOQSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)13(7-8-14)11-5-4-6-12(9-11)15-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol?
3-(3-methoxyphenyl)-4-methylpent-3-en-1-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 3-(3-methoxyphenyl)-4-methylpent-3-en-1-ol is sourced from PubChem (CID 102102749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).