4-methoxy-3-(3-methylbut-2-enyl)phenol

C12H16O2 — CID 101027686

IUPAC4-methoxy-3-(3-methylbut-2-enyl)phenol
SMILESCOc1ccc(O)cc1CC=C(C)C
InChIInChI=1S/C12H16O2/c1-9(2)4-5-10-8-11(13)6-7-12(10)14-3/h4,6-8,13H,5H2,1-3H3
InChIKeyAMRHDANHZOKNBL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.91
Rot. Bonds3

About 4-methoxy-3-(3-methylbut-2-enyl)phenol

4-methoxy-3-(3-methylbut-2-enyl)phenol (PubChem CID 101027686) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylbut-2-enyl)phenol.

Molecular Properties

Compound Name4-methoxy-3-(3-methylbut-2-enyl)phenol
PubChem CID101027686
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-methoxy-3-(3-methylbut-2-enyl)phenol
SMILESCOc1ccc(O)cc1CC=C(C)C
InChIInChI=1S/C12H16O2/c1-9(2)4-5-10-8-11(13)6-7-12(10)14-3/h4,6-8,13H,5H2,1-3H3
InChIKeyAMRHDANHZOKNBL-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.91
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

4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
CID 101450486
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
CID 78200712
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-3,4,5-triol
CID 11078329
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 16738409
9-methoxy-8-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 162978049
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
(2S,4R)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-ol
CID 78425886
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
3-fluoro-4-methoxyphenol
CID 14661613
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-6-methoxybenzene-1,4-diol
CID 50986202
2-[(2Z,6E,10E,14E,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-6-methoxybenzene-1,4-diol
CID 53481383

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methylbut-2-enyl)phenol?
The IUPAC name of 4-methoxy-3-(3-methylbut-2-enyl)phenol (CID 101027686) is 4-methoxy-3-(3-methylbut-2-enyl)phenol.
What is the SMILES notation for 4-methoxy-3-(3-methylbut-2-enyl)phenol?
The canonical SMILES for 4-methoxy-3-(3-methylbut-2-enyl)phenol is COc1ccc(O)cc1CC=C(C)C.
What is the InChIKey of 4-methoxy-3-(3-methylbut-2-enyl)phenol?
The InChIKey is AMRHDANHZOKNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)4-5-10-8-11(13)6-7-12(10)14-3/h4,6-8,13H,5H2,1-3H3.
What are the key properties of 4-methoxy-3-(3-methylbut-2-enyl)phenol?
4-methoxy-3-(3-methylbut-2-enyl)phenol has a molecular weight of 192.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylbut-2-enyl)phenol is sourced from PubChem (CID 101027686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).