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

C18H18ClFO — CID 114852563

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2ccc(Cl)cc2F)c2ccccc21
InChIInChI=1S/C18H18ClFO/c1-12-8-9-18(21,16-5-3-2-4-15(12)16)11-13-6-7-14(19)10-17(13)20/h2-7,10,12,21H,8-9,11H2,1H3
InChIKeyJPYFPVHCDAMTCD-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.81
Rot. Bonds2

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

1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 114852563) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID114852563
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1CCC(O)(Cc2ccc(Cl)cc2F)c2ccccc21
InChIInChI=1S/C18H18ClFO/c1-12-8-9-18(21,16-5-3-2-4-15(12)16)11-13-6-7-14(19)10-17(13)20/h2-7,10,12,21H,8-9,11H2,1H3
InChIKeyJPYFPVHCDAMTCD-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

Bis(4-chlorophenyl)-(3-fluorophenyl)methanol
CID 2758117
(2R,4aS,8aS)-1-[(E,3R)-5-(4-chlorophenyl)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 164612756
1,1-Bis(4-chlorophenyl)-4-phenylbutan-1-ol
CID 2003626
7-Chloro-1,2,3,4-tetrahydro-1-(trifluoromethyl)-1-naphthalenol
CID 13974274
(1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol
CID 139051344
(Z)-1-(4-chlorophenyl)-3-fluoro-4-naphthalen-2-ylbut-3-en-1-ol
CID 177852382
(1S)-1-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 178412082
2-(4-Chlorophenyl)tricyclo[3.3.1.13,7]decan-2-ol
CID 14716058
1-(4-Chloro-3-fluorophenyl)-2-[(dimethylamino)methyl]-4-(2-phenylethyl)cyclohexan-1-ol
CID 10178446
1-(4-Chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 13511683
6-(3-Chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 16119244
2-(4-Chloro-3-fluorophenyl)-1-[2,6-difluoro-4-(4-propylphenyl)phenyl]ethanol
CID 18513413

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 114852563) is 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1CCC(O)(Cc2ccc(Cl)cc2F)c2ccccc21.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is JPYFPVHCDAMTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c1-12-8-9-18(21,16-5-3-2-4-15(12)16)11-13-6-7-14(19)10-17(13)20/h2-7,10,12,21H,8-9,11H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-[(4-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-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 114852563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).