4-(4-methyl-2,5-dihydrofuran-2-yl)phenol

C11H12O2 — CID 12508731

IUPAC4-(4-methyl-2,5-dihydrofuran-2-yl)phenol
SMILESCC1=CC(c2ccc(O)cc2)OC1
InChIInChI=1S/C11H12O2/c1-8-6-11(13-7-8)9-2-4-10(12)5-3-9/h2-6,11-12H,7H2,1H3
InChIKeyYPQZXCNTRHCNEF-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.41
Rot. Bonds1

About 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol

4-(4-methyl-2,5-dihydrofuran-2-yl)phenol (PubChem CID 12508731) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol.

Molecular Properties

Compound Name4-(4-methyl-2,5-dihydrofuran-2-yl)phenol
PubChem CID12508731
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-(4-methyl-2,5-dihydrofuran-2-yl)phenol
SMILESCC1=CC(c2ccc(O)cc2)OC1
InChIInChI=1S/C11H12O2/c1-8-6-11(13-7-8)9-2-4-10(12)5-3-9/h2-6,11-12H,7H2,1H3
InChIKeyYPQZXCNTRHCNEF-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
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-(4-methyl-2,5-dihydrofuran-2-yl)phenol?
The IUPAC name of 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol (CID 12508731) is 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol.
What is the SMILES notation for 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol?
The canonical SMILES for 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol is CC1=CC(c2ccc(O)cc2)OC1.
What is the InChIKey of 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol?
The InChIKey is YPQZXCNTRHCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8-6-11(13-7-8)9-2-4-10(12)5-3-9/h2-6,11-12H,7H2,1H3.
What are the key properties of 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol?
4-(4-methyl-2,5-dihydrofuran-2-yl)phenol has a molecular weight of 176.22 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,5-dihydrofuran-2-yl)phenol is sourced from PubChem (CID 12508731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).