[1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol

C18H18ClFO — CID 102863641

IUPAC[1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Cc2cccc(Cl)c2F)CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-16-9-3-6-14(17(16)20)11-18(12-21)10-4-7-13-5-1-2-8-15(13)18/h1-3,5-6,8-9,21H,4,7,10-12H2
InChIKeyVHKJJJILCBWSSW-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.29
Rot. Bonds3

About [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol

[1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 102863641) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID102863641
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name[1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Cc2cccc(Cl)c2F)CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-16-9-3-6-14(17(16)20)11-18(12-21)10-4-7-13-5-1-2-8-15(13)18/h1-3,5-6,8-9,21H,4,7,10-12H2
InChIKeyVHKJJJILCBWSSW-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 102863641) is [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol is OCC1(Cc2cccc(Cl)c2F)CCCc2ccccc21.
What is the InChIKey of [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is VHKJJJILCBWSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-16-9-3-6-14(17(16)20)11-18(12-21)10-4-7-13-5-1-2-8-15(13)18/h1-3,5-6,8-9,21H,4,7,10-12H2.
What are the key properties of [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 304.79 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 102863641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).