2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde

C27H18O2 — CID 22016048

IUPAC2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(CO)cc21
InChIInChI=1S/C27H18O2/c28-15-17-9-11-21-19-5-1-3-7-23(19)27(25(21)13-17)24-8-4-2-6-20(24)22-12-10-18(16-29)14-26(22)27/h1-15,29H,16H2
InChIKeyASZRJHUNYYFFND-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.33
Rot. Bonds2

About 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde

2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde (PubChem CID 22016048) has the molecular formula C27H18O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde
PubChem CID22016048
Molecular FormulaC27H18O2
Molecular Weight374.44 g/mol
Exact Mass374.13
IUPAC Name2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(CO)cc21
InChIInChI=1S/C27H18O2/c28-15-17-9-11-21-19-5-1-3-7-23(19)27(25(21)13-17)24-8-4-2-6-20(24)22-12-10-18(16-29)14-26(22)27/h1-15,29H,16H2
InChIKeyASZRJHUNYYFFND-UHFFFAOYSA-N
XLogP5.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde
CID 14334392
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759
[7-(N-(9,9-diphenylfluoren-2-yl)anilino)-9,9-diphenylfluoren-2-yl]methanol
CID 139983986
4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde
CID 58444291
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
9,9'-spirobi[fluorene]-2-ylphosphinous acid
CID 166990702
3-benzylbenzaldehyde;(3-benzylphenyl)methanol
CID 160613010
2-ethenyl-9,9-diphenylfluorene
CID 144583514

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
The IUPAC name of 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde (CID 22016048) is 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
The canonical SMILES for 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde is O=Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(CO)cc21.
What is the InChIKey of 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
The InChIKey is ASZRJHUNYYFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O2/c28-15-17-9-11-21-19-5-1-3-7-23(19)27(25(21)13-17)24-8-4-2-6-20(24)22-12-10-18(16-29)14-26(22)27/h1-15,29H,16H2.
What are the key properties of 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde has a molecular weight of 374.44 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde is sourced from PubChem (CID 22016048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).