2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan

C21H20O — CID 166479963

IUPAC2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan
SMILESC[C@@H]1Cc2ccccc2C(c2cccc(-c3ccco3)c2)C1
InChIInChI=1S/C21H20O/c1-15-12-16-6-2-3-9-19(16)20(13-15)17-7-4-8-18(14-17)21-10-5-11-22-21/h2-11,14-15,20H,12-13H2,1H3/t15-,20?/m1/s1
InChIKeyOOQIODALTJFBGW-IWPPFLRJSA-N
MW288.39 g/mol
LogP5.66
Rot. Bonds2

About 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan

2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan (PubChem CID 166479963) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan.

Molecular Properties

Compound Name2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan
PubChem CID166479963
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan
SMILESC[C@@H]1Cc2ccccc2C(c2cccc(-c3ccco3)c2)C1
InChIInChI=1S/C21H20O/c1-15-12-16-6-2-3-9-19(16)20(13-15)17-7-4-8-18(14-17)21-10-5-11-22-21/h2-11,14-15,20H,12-13H2,1H3/t15-,20?/m1/s1
InChIKeyOOQIODALTJFBGW-IWPPFLRJSA-N
XLogP5.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 166479964
(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729275
4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 15629688
(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638679
(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638669
(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479948
ethane;(1S,3R)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 166479860
(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118729258
ethane;2-phenylfuran
CID 143157762
1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 78952250

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan?
The IUPAC name of 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan (CID 166479963) is 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan.
What is the SMILES notation for 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan?
The canonical SMILES for 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan is C[C@@H]1Cc2ccccc2C(c2cccc(-c3ccco3)c2)C1.
What is the InChIKey of 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan?
The InChIKey is OOQIODALTJFBGW-IWPPFLRJSA-N. The full InChI is InChI=1S/C21H20O/c1-15-12-16-6-2-3-9-19(16)20(13-15)17-7-4-8-18(14-17)21-10-5-11-22-21/h2-11,14-15,20H,12-13H2,1H3/t15-,20?/m1/s1.
What are the key properties of 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan?
2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan has a molecular weight of 288.39 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan is sourced from PubChem (CID 166479963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).