1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol

C16H14ClFO — CID 105393720

IUPAC1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCc2ccccc21
InChIInChI=1S/C16H14ClFO/c17-15-8-7-12(18)10-14(15)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10,19H,3,5,9H2
InChIKeyZPMUFGOEOKXCPF-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.05
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol

1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 105393720) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID105393720
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2cc(F)ccc2Cl)CCCc2ccccc21
InChIInChI=1S/C16H14ClFO/c17-15-8-7-12(18)10-14(15)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10,19H,3,5,9H2
InChIKeyZPMUFGOEOKXCPF-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol (CID 105393720) is 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol is OC1(c2cc(F)ccc2Cl)CCCc2ccccc21.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is ZPMUFGOEOKXCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c17-15-8-7-12(18)10-14(15)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10,19H,3,5,9H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 276.74 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 105393720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).