1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

C17H16F2O — CID 115419622

IUPAC1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(c2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C17H16F2O/c1-11-9-10-17(20,13-6-3-2-5-12(11)13)16-14(18)7-4-8-15(16)19/h2-8,11,20H,9-10H2,1H3
InChIKeyYQQXJMPDKCXHCM-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.10
Rot. Bonds1

About 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115419622) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID115419622
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(c2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C17H16F2O/c1-11-9-10-17(20,13-6-3-2-5-12(11)13)16-14(18)7-4-8-15(16)19/h2-8,11,20H,9-10H2,1H3
InChIKeyYQQXJMPDKCXHCM-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.10
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-(2,4-dimethylphenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419629
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 106644704
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
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
CID 115420917
3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089749
1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419705
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115419622) is 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1CCC(O)(c2c(F)cccc2F)c2ccccc21.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is YQQXJMPDKCXHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11-9-10-17(20,13-6-3-2-5-12(11)13)16-14(18)7-4-8-15(16)19/h2-8,11,20H,9-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 274.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115419622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).