2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol

C13H18O3 — CID 141187863

IUPAC2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol
SMILESC=C(CC)c1ccc(OC)c(OCCO)c1
InChIInChI=1S/C13H18O3/c1-4-10(2)11-5-6-12(15-3)13(9-11)16-8-7-14/h5-6,9,14H,2,4,7-8H2,1,3H3
InChIKeyADBQSXUQCVKIBW-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.49
Rot. Bonds6

About 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol

2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol (PubChem CID 141187863) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol.

Molecular Properties

Compound Name2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol
PubChem CID141187863
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol
SMILESC=C(CC)c1ccc(OC)c(OCCO)c1
InChIInChI=1S/C13H18O3/c1-4-10(2)11-5-6-12(15-3)13(9-11)16-8-7-14/h5-6,9,14H,2,4,7-8H2,1,3H3
InChIKeyADBQSXUQCVKIBW-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
4-(6-hydroxyhexoxy)-3-methoxybenzenecarbothioamide
CID 107703833
2-bromo-1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]ethanone
CID 119094833
4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide
CID 60928966
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
4-(2-fluoroethoxy)-3-methoxybenzenecarbothioamide
CID 80693896
4-methoxy-3-pentoxybenzamide
CID 82041442
3-butoxy-4-methoxybenzoyl chloride
CID 15733507
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
4-[2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 16744280

Frequently Asked Questions

What is the IUPAC name of 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol?
The IUPAC name of 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol (CID 141187863) is 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol.
What is the SMILES notation for 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol?
The canonical SMILES for 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol is C=C(CC)c1ccc(OC)c(OCCO)c1.
What is the InChIKey of 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol?
The InChIKey is ADBQSXUQCVKIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-10(2)11-5-6-12(15-3)13(9-11)16-8-7-14/h5-6,9,14H,2,4,7-8H2,1,3H3.
What are the key properties of 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol?
2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-but-1-en-2-yl-2-methoxyphenoxy)ethanol is sourced from PubChem (CID 141187863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).