4-(3-methyl-1-adamantyl)phenol

C17H22O — CID 3656142

IUPAC4-(3-methyl-1-adamantyl)phenol
SMILESCC12CC3CC(C1)CC(c1ccc(O)cc1)(C3)C2
InChIInChI=1S/C17H22O/c1-16-7-12-6-13(8-16)10-17(9-12,11-16)14-2-4-15(18)5-3-14/h2-5,12-13,18H,6-11H2,1H3
InChIKeyGWLXAUXBXRXKAV-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.25
Rot. Bonds1

About 4-(3-methyl-1-adamantyl)phenol

4-(3-methyl-1-adamantyl)phenol (PubChem CID 3656142) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(3-methyl-1-adamantyl)phenol.

Molecular Properties

Compound Name4-(3-methyl-1-adamantyl)phenol
PubChem CID3656142
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name4-(3-methyl-1-adamantyl)phenol
SMILESCC12CC3CC(C1)CC(c1ccc(O)cc1)(C3)C2
InChIInChI=1S/C17H22O/c1-16-7-12-6-13(8-16)10-17(9-12,11-16)14-2-4-15(18)5-3-14/h2-5,12-13,18H,6-11H2,1H3
InChIKeyGWLXAUXBXRXKAV-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-methyl-1-adamantyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-adamantyl)phenol?
The IUPAC name of 4-(3-methyl-1-adamantyl)phenol (CID 3656142) is 4-(3-methyl-1-adamantyl)phenol.
What is the SMILES notation for 4-(3-methyl-1-adamantyl)phenol?
The canonical SMILES for 4-(3-methyl-1-adamantyl)phenol is CC12CC3CC(C1)CC(c1ccc(O)cc1)(C3)C2.
What is the InChIKey of 4-(3-methyl-1-adamantyl)phenol?
The InChIKey is GWLXAUXBXRXKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-16-7-12-6-13(8-16)10-17(9-12,11-16)14-2-4-15(18)5-3-14/h2-5,12-13,18H,6-11H2,1H3.
What are the key properties of 4-(3-methyl-1-adamantyl)phenol?
4-(3-methyl-1-adamantyl)phenol has a molecular weight of 242.36 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-adamantyl)phenol is sourced from PubChem (CID 3656142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).