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

C18H18ClFO — CID 102856985

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2cccc(Cl)c2F)c2ccccc21
InChIInChI=1S/C18H18ClFO/c1-12-9-10-18(21,15-7-3-2-6-14(12)15)11-13-5-4-8-16(19)17(13)20/h2-8,12,21H,9-11H2,1H3
InChIKeyFEMAUBQCGFJHLV-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.81
Rot. Bonds2

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

1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 102856985) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID102856985
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2cccc(Cl)c2F)c2ccccc21
InChIInChI=1S/C18H18ClFO/c1-12-9-10-18(21,15-7-3-2-6-14(12)15)11-13-5-4-8-16(19)17(13)20/h2-8,12,21H,9-11H2,1H3
InChIKeyFEMAUBQCGFJHLV-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419563
1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419671
1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroinden-1-ol
CID 102856994
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419578
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
4-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 102864805

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 102856985) is 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1CCC(O)(Cc2cccc(Cl)c2F)c2ccccc21.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is FEMAUBQCGFJHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c1-12-9-10-18(21,15-7-3-2-6-14(12)15)11-13-5-4-8-16(19)17(13)20/h2-8,12,21H,9-11H2,1H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 304.79 g/mol, XLogP of 4.81, 2 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]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 102856985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).