[4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol

C20H28O2 — CID 66726726

IUPAC[4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol
SMILESCC(C)Oc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28O2/c1-13(2)22-19-8-14(12-21)3-4-18(19)20-9-15-5-16(10-20)7-17(6-15)11-20/h3-4,8,13,15-17,21H,5-7,9-12H2,1-2H3
InChIKeyNYSGEKBWUBIASM-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.43
Rot. Bonds4

About [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol

[4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol (PubChem CID 66726726) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol.

Molecular Properties

Compound Name[4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol
PubChem CID66726726
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name[4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol
SMILESCC(C)Oc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28O2/c1-13(2)22-19-8-14(12-21)3-4-18(19)20-9-15-5-16(10-20)7-17(6-15)11-20/h3-4,8,13,15-17,21H,5-7,9-12H2,1-2H3
InChIKeyNYSGEKBWUBIASM-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol 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-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol?
The IUPAC name of [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol (CID 66726726) is [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol.
What is the SMILES notation for [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol?
The canonical SMILES for [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol is CC(C)Oc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol?
The InChIKey is NYSGEKBWUBIASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-13(2)22-19-8-14(12-21)3-4-18(19)20-9-15-5-16(10-20)7-17(6-15)11-20/h3-4,8,13,15-17,21H,5-7,9-12H2,1-2H3.
What are the key properties of [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol?
[4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol has a molecular weight of 300.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol is sourced from PubChem (CID 66726726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).