[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol

C17H16O2 — CID 18626557

IUPAC[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
SMILESOCC1(CO)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H16O2/c18-11-17(12-19)15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-10,18-19H,11-12H2
InChIKeyGSABDAIKLWSEQU-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.44
Rot. Bonds2

About [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol

[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol (PubChem CID 18626557) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
PubChem CID18626557
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
SMILESOCC1(CO)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H16O2/c18-11-17(12-19)15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-10,18-19H,11-12H2
InChIKeyGSABDAIKLWSEQU-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol (CID 18626557) is [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol is OCC1(CO)c2ccccc2C=Cc2ccccc21.
What is the InChIKey of [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol?
The InChIKey is GSABDAIKLWSEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-11-17(12-19)15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-10,18-19H,11-12H2.
What are the key properties of [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol?
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol is sourced from PubChem (CID 18626557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).