(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene

C23H21Cl — CID 166479964

IUPAC(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC[C@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C23H21Cl/c1-16-13-19-5-2-3-8-22(19)23(14-16)20-7-4-6-18(15-20)17-9-11-21(24)12-10-17/h2-12,15-16,23H,13-14H2,1H3/t16-,23+/m0/s1
InChIKeyQWGVYMWRGOWRDO-QMHKHESXSA-N
MW332.87 g/mol
LogP6.72
Rot. Bonds2

About (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene

(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 166479964) has the molecular formula C23H21Cl and a molecular weight of 332.87 g/mol. Its IUPAC name is (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID166479964
Molecular FormulaC23H21Cl
Molecular Weight332.87 g/mol
Exact Mass332.13
IUPAC Name(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC[C@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C23H21Cl/c1-16-13-19-5-2-3-8-22(19)23(14-16)20-7-4-6-18(15-20)17-9-11-21(24)12-10-17/h2-12,15-16,23H,13-14H2,1H3/t16-,23+/m0/s1
InChIKeyQWGVYMWRGOWRDO-QMHKHESXSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.87
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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
2-[3-[(3S)-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]furan
CID 166479963
(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729275
(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638669
(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166638679
4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 15629688
(1R,3S)-3-ethyl-1-[3-(3-fluorophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479948
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
CID 144785467
ethane;(1S,3R)-1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 166479860
2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane
CID 170874296
(2S,4R)-N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118729258

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene (CID 166479964) is (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene is C[C@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccc(Cl)cc3)c2)C1.
What is the InChIKey of (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is QWGVYMWRGOWRDO-QMHKHESXSA-N. The full InChI is InChI=1S/C23H21Cl/c1-16-13-19-5-2-3-8-22(19)23(14-16)20-7-4-6-18(15-20)17-9-11-21(24)12-10-17/h2-12,15-16,23H,13-14H2,1H3/t16-,23+/m0/s1.
What are the key properties of (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene?
(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 332.87 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 166479964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).