1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene

C17H17FO — CID 138972518

IUPAC1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)CCC2
InChIInChI=1S/C17H17FO/c1-19-15-10-7-12-3-2-4-16(17(12)11-15)13-5-8-14(18)9-6-13/h5-11,16H,2-4H2,1H3
InChIKeyBQHJAFAXQLZEOB-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.30
Rot. Bonds2

About 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene

1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 138972518) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID138972518
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)CCC2
InChIInChI=1S/C17H17FO/c1-19-15-10-7-12-3-2-4-16(17(12)11-15)13-5-8-14(18)9-6-13/h5-11,16H,2-4H2,1H3
InChIKeyBQHJAFAXQLZEOB-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-1-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene
CID 15576006
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 69119731
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
1-(6-methoxy-2,3,4,4a,9,10-hexahydrophenanthren-1-yl)ethanone
CID 142233424
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[8-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxane-2,3,4,5-tetrol
CID 140560981
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene (CID 138972518) is 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)C(c1ccc(F)cc1)CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BQHJAFAXQLZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-19-15-10-7-12-3-2-4-16(17(12)11-15)13-5-8-14(18)9-6-13/h5-11,16H,2-4H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 256.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 138972518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).