ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde

C19H24O2 — CID 91189809

IUPACethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde
SMILESCC.CC.CC1c2ccccc2-c2c1ccc(O)c2C=O
InChIInChI=1S/C15H12O2.2C2H6/c1-9-10-4-2-3-5-12(10)15-11(9)6-7-14(17)13(15)8-16;2*1-2/h2-9,17H,1H3;2*1-2H3
InChIKeyVYNMFHAXXCRNCZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.39
Rot. Bonds1

About ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde

ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde (PubChem CID 91189809) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde.

Molecular Properties

Compound Nameethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde
PubChem CID91189809
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Nameethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde
SMILESCC.CC.CC1c2ccccc2-c2c1ccc(O)c2C=O
InChIInChI=1S/C15H12O2.2C2H6/c1-9-10-4-2-3-5-12(10)15-11(9)6-7-14(17)13(15)8-16;2*1-2/h2-9,17H,1H3;2*1-2H3
InChIKeyVYNMFHAXXCRNCZ-UHFFFAOYSA-N
XLogP5.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.39
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-methyl-9H-fluorene-1,2,3,4-tetrol
CID 163845357
(9S,18S,27S)-9,18,27-trimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 101264087
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
1-butyl-5-hydroxy-3-oxo-1H-2-benzofuran-4-carbaldehyde
CID 178142993
5,7,12-trimethyl-7,12-dihydroindeno[1,2-a]fluorene
CID 122228971
9-methyl-N-(9-methyl-9H-fluoren-3-yl)-9H-fluoren-3-amine
CID 175493834
(4-formyl-9H-fluoren-9-yl)azanide
CID 131727972
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217
4,5,9-trimethyl-9H-fluorene
CID 20673052
7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene
CID 122228966
2,3,4-trihydroxynaphthalene-1-carbaldehyde
CID 19689107

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde?
The IUPAC name of ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde (CID 91189809) is ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde.
What is the SMILES notation for ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde?
The canonical SMILES for ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde is CC.CC.CC1c2ccccc2-c2c1ccc(O)c2C=O.
What is the InChIKey of ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde?
The InChIKey is VYNMFHAXXCRNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.2C2H6/c1-9-10-4-2-3-5-12(10)15-11(9)6-7-14(17)13(15)8-16;2*1-2/h2-9,17H,1H3;2*1-2H3.
What are the key properties of ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde?
ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde has a molecular weight of 284.40 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-9-methyl-9H-fluorene-4-carbaldehyde is sourced from PubChem (CID 91189809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).