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

C12H16O2 — CID 102202688

IUPAC4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol
SMILESCC(C)=CCc1cc(CO)ccc1O
InChIInChI=1S/C12H16O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h3-4,6-7,13-14H,5,8H2,1-2H3
InChIKeyOJHZIVLQJHHUHN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.39
Rot. Bonds3

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

4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol (PubChem CID 102202688) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol
PubChem CID102202688
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol
SMILESCC(C)=CCc1cc(CO)ccc1O
InChIInChI=1S/C12H16O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h3-4,6-7,13-14H,5,8H2,1-2H3
InChIKeyOJHZIVLQJHHUHN-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol?
The IUPAC name of 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol (CID 102202688) is 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol.
What is the SMILES notation for 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol?
The canonical SMILES for 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol is CC(C)=CCc1cc(CO)ccc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol?
The InChIKey is OJHZIVLQJHHUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h3-4,6-7,13-14H,5,8H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol?
4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol has a molecular weight of 192.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenol is sourced from PubChem (CID 102202688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).