2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene

C18H18O — CID 163626490

IUPAC2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene
SMILESC=C[C@@H](C)OCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H18O/c1-3-13(2)19-12-14-8-9-18-16(10-14)11-15-6-4-5-7-17(15)18/h3-10,13H,1,11-12H2,2H3/t13-/m1/s1
InChIKeyHSLYOAGPXLFDHQ-CYBMUJFWSA-N
MW250.34 g/mol
LogP4.35
Rot. Bonds4

About 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene

2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene (PubChem CID 163626490) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene.

Molecular Properties

Compound Name2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene
PubChem CID163626490
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene
SMILESC=C[C@@H](C)OCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H18O/c1-3-13(2)19-12-14-8-9-18-16(10-14)11-15-6-4-5-7-17(15)18/h3-10,13H,1,11-12H2,2H3/t13-/m1/s1
InChIKeyHSLYOAGPXLFDHQ-CYBMUJFWSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-butan-2-yl]oxymethyl]-9H-fluorene
CID 163760487
9H-fluoren-2-ylmethyl(trimethyl)silane
CID 132540419
N-(9H-fluoren-2-ylmethyl)methanimine
CID 142569253
1-ethoxyethanol;9H-fluorene
CID 174814195
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
ethane;9H-fluoren-2-ol
CID 91146688
ethyl 2-amino-3-(9H-fluoren-2-yl)propanoate;hydrochloride
CID 70243578
2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene
CID 123999065
2-(1-bromopropan-2-yl)-9H-fluorene
CID 66469849
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene?
The IUPAC name of 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene (CID 163626490) is 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene.
What is the SMILES notation for 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene?
The canonical SMILES for 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene is C=C[C@@H](C)OCc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene?
The InChIKey is HSLYOAGPXLFDHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18O/c1-3-13(2)19-12-14-8-9-18-16(10-14)11-15-6-4-5-7-17(15)18/h3-10,13H,1,11-12H2,2H3/t13-/m1/s1.
What are the key properties of 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene?
2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene has a molecular weight of 250.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene is sourced from PubChem (CID 163626490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).