(1,2-dimethyl-9H-fluoren-4-yl)boronic acid

C15H15BO2 — CID 142743472

IUPAC(1,2-dimethyl-9H-fluoren-4-yl)boronic acid
SMILESCc1cc(B(O)O)c2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C15H15BO2/c1-9-7-14(16(17)18)15-12-6-4-3-5-11(12)8-13(15)10(9)2/h3-7,17-18H,8H2,1-2H3
InChIKeyWUBMRHXOPYYDCE-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.55
Rot. Bonds1

About (1,2-dimethyl-9H-fluoren-4-yl)boronic acid

(1,2-dimethyl-9H-fluoren-4-yl)boronic acid (PubChem CID 142743472) has the molecular formula C15H15BO2 and a molecular weight of 238.10 g/mol. Its IUPAC name is (1,2-dimethyl-9H-fluoren-4-yl)boronic acid.

Molecular Properties

Compound Name(1,2-dimethyl-9H-fluoren-4-yl)boronic acid
PubChem CID142743472
Molecular FormulaC15H15BO2
Molecular Weight238.10 g/mol
Exact Mass238.12
IUPAC Name(1,2-dimethyl-9H-fluoren-4-yl)boronic acid
SMILESCc1cc(B(O)O)c2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C15H15BO2/c1-9-7-14(16(17)18)15-12-6-4-3-5-11(12)8-13(15)10(9)2/h3-7,17-18H,8H2,1-2H3
InChIKeyWUBMRHXOPYYDCE-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-4-ylboronic acid
CID 68786516
2,3,4-trimethyl-10H-anthracen-9-one
CID 21344517
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
1,2-dimethyl-9H-fluorene;1,2,3-trimethyl-9H-fluorene;1,2,4-trimethyl-9H-fluorene;1,2,5-trimethyl-9H-fluorene;1,2,6-trimethyl-9H-fluorene;1,2,7-trimethyl-9H-fluorene
CID 158743052
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
1,3,4,5-tetramethyl-9H-fluorene
CID 158222365
14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 158378580
1,3-dimethyl-N-phenyl-9H-fluoren-2-amine
CID 174831401

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-9H-fluoren-4-yl)boronic acid?
The IUPAC name of (1,2-dimethyl-9H-fluoren-4-yl)boronic acid (CID 142743472) is (1,2-dimethyl-9H-fluoren-4-yl)boronic acid.
What is the SMILES notation for (1,2-dimethyl-9H-fluoren-4-yl)boronic acid?
The canonical SMILES for (1,2-dimethyl-9H-fluoren-4-yl)boronic acid is Cc1cc(B(O)O)c2c(c1C)Cc1ccccc1-2.
What is the InChIKey of (1,2-dimethyl-9H-fluoren-4-yl)boronic acid?
The InChIKey is WUBMRHXOPYYDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO2/c1-9-7-14(16(17)18)15-12-6-4-3-5-11(12)8-13(15)10(9)2/h3-7,17-18H,8H2,1-2H3.
What are the key properties of (1,2-dimethyl-9H-fluoren-4-yl)boronic acid?
(1,2-dimethyl-9H-fluoren-4-yl)boronic acid has a molecular weight of 238.10 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-9H-fluoren-4-yl)boronic acid is sourced from PubChem (CID 142743472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).