3-but-3-en-2-yloxyphenol

C10H12O2 — CID 62384342

IUPAC3-but-3-en-2-yloxyphenol
SMILESC=CC(C)Oc1cccc(O)c1
InChIInChI=1S/C10H12O2/c1-3-8(2)12-10-6-4-5-9(11)7-10/h3-8,11H,1H2,2H3
InChIKeyBZSMPKQUDUWQIP-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.35
Rot. Bonds3

About 3-but-3-en-2-yloxyphenol

3-but-3-en-2-yloxyphenol (PubChem CID 62384342) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-but-3-en-2-yloxyphenol.

Molecular Properties

Compound Name3-but-3-en-2-yloxyphenol
PubChem CID62384342
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-but-3-en-2-yloxyphenol
SMILESC=CC(C)Oc1cccc(O)c1
InChIInChI=1S/C10H12O2/c1-3-8(2)12-10-6-4-5-9(11)7-10/h3-8,11H,1H2,2H3
InChIKeyBZSMPKQUDUWQIP-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.35
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

benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
1,3-bis(4,4-dimethylpent-1-en-3-yloxy)benzene
CID 19820126
3-(4-but-3-en-2-yloxyphenyl)-5-hydroxybenzaldehyde
CID 123304118
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
sodium 3-methoxyphenol
CID 19079440
ethane;3-methoxyphenol
CID 142018283
3-(1-fluorobutoxy)phenol
CID 174949464

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yloxyphenol?
The IUPAC name of 3-but-3-en-2-yloxyphenol (CID 62384342) is 3-but-3-en-2-yloxyphenol.
What is the SMILES notation for 3-but-3-en-2-yloxyphenol?
The canonical SMILES for 3-but-3-en-2-yloxyphenol is C=CC(C)Oc1cccc(O)c1.
What is the InChIKey of 3-but-3-en-2-yloxyphenol?
The InChIKey is BZSMPKQUDUWQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8(2)12-10-6-4-5-9(11)7-10/h3-8,11H,1H2,2H3.
What are the key properties of 3-but-3-en-2-yloxyphenol?
3-but-3-en-2-yloxyphenol has a molecular weight of 164.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxyphenol is sourced from PubChem (CID 62384342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).