2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol

C14H18Cl2O — CID 71425229

IUPAC2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol
SMILESCC1(C)c2ccccc2C(C)(C)C1(O)C(Cl)Cl
InChIInChI=1S/C14H18Cl2O/c1-12(2)9-7-5-6-8-10(9)13(3,4)14(12,17)11(15)16/h5-8,11,17H,1-4H3
InChIKeyZMVFQYOTQUPPSA-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.79
Rot. Bonds1

About 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol

2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol (PubChem CID 71425229) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol.

Molecular Properties

Compound Name2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol
PubChem CID71425229
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol
SMILESCC1(C)c2ccccc2C(C)(C)C1(O)C(Cl)Cl
InChIInChI=1S/C14H18Cl2O/c1-12(2)9-7-5-6-8-10(9)13(3,4)14(12,17)11(15)16/h5-8,11,17H,1-4H3
InChIKeyZMVFQYOTQUPPSA-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,4-dimethylnaphthalene-1,4-diol
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CID 14974881
methane;9-methylfluoren-9-ol
CID 160708378
(1S,2S)-1,2-bis(ethenyl)-3,3-dimethylindene-1,2-diol
CID 101090906
4-hydroxy-2,4-dimethylnaphthalen-1-one
CID 12724464
9,9,10-trimethyl-10-propan-2-ylanthracene
CID 177080300
1-bromo-1,2,2,3,3-pentamethylindene
CID 141477429
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
1,3,3-trimethyl-2H-inden-1-ol
CID 121006931
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CID 134869556

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol?
The IUPAC name of 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol (CID 71425229) is 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol.
What is the SMILES notation for 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol?
The canonical SMILES for 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol is CC1(C)c2ccccc2C(C)(C)C1(O)C(Cl)Cl.
What is the InChIKey of 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol?
The InChIKey is ZMVFQYOTQUPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-12(2)9-7-5-6-8-10(9)13(3,4)14(12,17)11(15)16/h5-8,11,17H,1-4H3.
What are the key properties of 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol?
2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol has a molecular weight of 273.20 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol is sourced from PubChem (CID 71425229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).