5-but-1-enyl-2-methoxyphenol

C11H14O2 — CID 154188368

IUPAC5-but-1-enyl-2-methoxyphenol
SMILESCCC=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C11H14O2/c1-3-4-5-9-6-7-11(13-2)10(12)8-9/h4-8,12H,3H2,1-2H3
InChIKeyNNUBKXJRJKPRHH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.82
Rot. Bonds3

About 5-but-1-enyl-2-methoxyphenol

5-but-1-enyl-2-methoxyphenol (PubChem CID 154188368) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-but-1-enyl-2-methoxyphenol.

Molecular Properties

Compound Name5-but-1-enyl-2-methoxyphenol
PubChem CID154188368
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-but-1-enyl-2-methoxyphenol
SMILESCCC=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C11H14O2/c1-3-4-5-9-6-7-11(13-2)10(12)8-9/h4-8,12H,3H2,1-2H3
InChIKeyNNUBKXJRJKPRHH-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
4-[(E)-but-1-enyl]-2-methoxyaniline
CID 170101265
2-methoxy-5-(2-pyridin-4-ylethenyl)phenol
CID 54474523
3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol
CID 141206189
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
5-methanimidoyl-2-methoxyphenol
CID 23221891
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
sodium (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 66849635
1-(4-hydroxy-3-methoxyphenyl)hepta-1,4-dien-3-one
CID 175197578

Frequently Asked Questions

What is the IUPAC name of 5-but-1-enyl-2-methoxyphenol?
The IUPAC name of 5-but-1-enyl-2-methoxyphenol (CID 154188368) is 5-but-1-enyl-2-methoxyphenol.
What is the SMILES notation for 5-but-1-enyl-2-methoxyphenol?
The canonical SMILES for 5-but-1-enyl-2-methoxyphenol is CCC=Cc1ccc(OC)c(O)c1.
What is the InChIKey of 5-but-1-enyl-2-methoxyphenol?
The InChIKey is NNUBKXJRJKPRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-5-9-6-7-11(13-2)10(12)8-9/h4-8,12H,3H2,1-2H3.
What are the key properties of 5-but-1-enyl-2-methoxyphenol?
5-but-1-enyl-2-methoxyphenol has a molecular weight of 178.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-enyl-2-methoxyphenol is sourced from PubChem (CID 154188368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).