[(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol

C16H20O2 — CID 12750258

IUPAC[(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol
SMILESOC[C@]12CC=CC[C@@]1(CO)c1ccccc1CC2
InChIInChI=1S/C16H20O2/c17-11-15-8-3-4-9-16(15,12-18)14-6-2-1-5-13(14)7-10-15/h1-6,17-18H,7-12H2/t15-,16-/m1/s1
InChIKeyCYHXCIAJIUKFLX-HZPDHXFCSA-N
MW244.33 g/mol
LogP2.19
Rot. Bonds2

About [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol

[(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol (PubChem CID 12750258) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol.

Molecular Properties

Compound Name[(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol
PubChem CID12750258
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol
SMILESOC[C@]12CC=CC[C@@]1(CO)c1ccccc1CC2
InChIInChI=1S/C16H20O2/c17-11-15-8-3-4-9-16(15,12-18)14-6-2-1-5-13(14)7-10-15/h1-6,17-18H,7-12H2/t15-,16-/m1/s1
InChIKeyCYHXCIAJIUKFLX-HZPDHXFCSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]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 [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol?
The IUPAC name of [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol (CID 12750258) is [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol.
What is the SMILES notation for [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol?
The canonical SMILES for [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol is OC[C@]12CC=CC[C@@]1(CO)c1ccccc1CC2.
What is the InChIKey of [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol?
The InChIKey is CYHXCIAJIUKFLX-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20O2/c17-11-15-8-3-4-9-16(15,12-18)14-6-2-1-5-13(14)7-10-15/h1-6,17-18H,7-12H2/t15-,16-/m1/s1.
What are the key properties of [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol?
[(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol has a molecular weight of 244.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4bR,8aR)-4b-(hydroxymethyl)-5,8,9,10-tetrahydrophenanthren-8a-yl]methanol is sourced from PubChem (CID 12750258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).