1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

C16H13Cl2FO — CID 83069879

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccc(Cl)cc2Cl)CCc2c(F)cccc21
InChIInChI=1S/C16H13Cl2FO/c17-11-5-4-10(14(18)8-11)9-16(20)7-6-12-13(16)2-1-3-15(12)19/h1-5,8,20H,6-7,9H2
InChIKeyHNMLWSGXIVACPT-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.51
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83069879) has the molecular formula C16H13Cl2FO and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83069879
Molecular FormulaC16H13Cl2FO
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccc(Cl)cc2Cl)CCc2c(F)cccc21
InChIInChI=1S/C16H13Cl2FO/c17-11-5-4-10(14(18)8-11)9-16(20)7-6-12-13(16)2-1-3-15(12)19/h1-5,8,20H,6-7,9H2
InChIKeyHNMLWSGXIVACPT-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (CID 83069879) is 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol is OC1(Cc2ccc(Cl)cc2Cl)CCc2c(F)cccc21.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is HNMLWSGXIVACPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO/c17-11-5-4-10(14(18)8-11)9-16(20)7-6-12-13(16)2-1-3-15(12)19/h1-5,8,20H,6-7,9H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 311.18 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).