4-(3,5-dimethyl-1-adamantyl)phenol

C18H24O — CID 5218411

IUPAC4-(3,5-dimethyl-1-adamantyl)phenol
SMILESCC12CC3CC(C)(C1)CC(c1ccc(O)cc1)(C3)C2
InChIInChI=1S/C18H24O/c1-16-7-13-8-17(2,10-16)12-18(9-13,11-16)14-3-5-15(19)6-4-14/h3-6,13,19H,7-12H2,1-2H3
InChIKeyTWSBXJSZMPALGE-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.64
Rot. Bonds1

About 4-(3,5-dimethyl-1-adamantyl)phenol

4-(3,5-dimethyl-1-adamantyl)phenol (PubChem CID 5218411) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-adamantyl)phenol.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-adamantyl)phenol
PubChem CID5218411
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name4-(3,5-dimethyl-1-adamantyl)phenol
SMILESCC12CC3CC(C)(C1)CC(c1ccc(O)cc1)(C3)C2
InChIInChI=1S/C18H24O/c1-16-7-13-8-17(2,10-16)12-18(9-13,11-16)14-3-5-15(19)6-4-14/h3-6,13,19H,7-12H2,1-2H3
InChIKeyTWSBXJSZMPALGE-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1-adamantyl)phenol?
The IUPAC name of 4-(3,5-dimethyl-1-adamantyl)phenol (CID 5218411) is 4-(3,5-dimethyl-1-adamantyl)phenol.
What is the SMILES notation for 4-(3,5-dimethyl-1-adamantyl)phenol?
The canonical SMILES for 4-(3,5-dimethyl-1-adamantyl)phenol is CC12CC3CC(C)(C1)CC(c1ccc(O)cc1)(C3)C2.
What is the InChIKey of 4-(3,5-dimethyl-1-adamantyl)phenol?
The InChIKey is TWSBXJSZMPALGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-16-7-13-8-17(2,10-16)12-18(9-13,11-16)14-3-5-15(19)6-4-14/h3-6,13,19H,7-12H2,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1-adamantyl)phenol?
4-(3,5-dimethyl-1-adamantyl)phenol has a molecular weight of 256.39 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-adamantyl)phenol is sourced from PubChem (CID 5218411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).