(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene

C16H14Cl2 — CID 54553970

IUPAC(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
SMILESC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H14Cl2/c1-10-8-14(13-5-3-2-4-12(10)13)11-6-7-15(17)16(18)9-11/h2-7,9-10,14H,8H2,1H3/t10-,14+/m0/s1
InChIKeyZLWIWTKYYXSGRQ-IINYFYTJSA-N
MW277.19 g/mol
LogP5.63
Rot. Bonds1

About (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene

(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene (PubChem CID 54553970) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
PubChem CID54553970
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
SMILESC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H14Cl2/c1-10-8-14(13-5-3-2-4-12(10)13)11-6-7-15(17)16(18)9-11/h2-7,9-10,14H,8H2,1H3/t10-,14+/m0/s1
InChIKeyZLWIWTKYYXSGRQ-IINYFYTJSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.19
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 87161945
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
(1R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58591995
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686
(1R,4R)-4-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408774
(1S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 46781183
[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylazanium chloride
CID 85390722
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408687
(1S,4S)-4-(3,4-dichlorophenyl)-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 101168921
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;methanol;hydrochloride
CID 69478008
[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]hydrazine
CID 67940115

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene?
The IUPAC name of (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene (CID 54553970) is (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene is C[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene?
The InChIKey is ZLWIWTKYYXSGRQ-IINYFYTJSA-N. The full InChI is InChI=1S/C16H14Cl2/c1-10-8-14(13-5-3-2-4-12(10)13)11-6-7-15(17)16(18)9-11/h2-7,9-10,14H,8H2,1H3/t10-,14+/m0/s1.
What are the key properties of (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene?
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene has a molecular weight of 277.19 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 54553970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).