(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene

C19H20Cl2O — CID 159852453

IUPAC(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H]1Cc2ccc(OC)cc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2O/c1-3-12-8-13-4-6-15(22-2)11-17(13)16(9-12)14-5-7-18(20)19(21)10-14/h4-7,10-12,16H,3,8-9H2,1-2H3/t12-,16+/m1/s1
InChIKeyNBZUUOYXYAOOIG-WBMJQRKESA-N
MW335.27 g/mol
LogP6.11
Rot. Bonds3

About (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene

(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 159852453) has the molecular formula C19H20Cl2O and a molecular weight of 335.27 g/mol. Its IUPAC name is (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID159852453
Molecular FormulaC19H20Cl2O
Molecular Weight335.27 g/mol
Exact Mass334.09
IUPAC Name(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC[C@@H]1Cc2ccc(OC)cc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2O/c1-3-12-8-13-4-6-15(22-2)11-17(13)16(9-12)14-5-7-18(20)19(21)10-14/h4-7,10-12,16H,3,8-9H2,1-2H3/t12-,16+/m1/s1
InChIKeyNBZUUOYXYAOOIG-WBMJQRKESA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.27
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159474577
(1R,3R)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1S,3R)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1R,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene;(1R,3R)-1-(3,4-dichlorophenyl)-3-ethyl-8-methoxy-1,2,3,4-tetrahydronaphthalene;(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-8-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159852451
(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192
4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66808975
(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45264957
4-(3,4-dichlorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 91076411
1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 91180485
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467189
(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene
CID 129363851
(1R,4R)-4-(3,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 69189375

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene (CID 159852453) is (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene is CC[C@@H]1Cc2ccc(OC)cc2[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NBZUUOYXYAOOIG-WBMJQRKESA-N. The full InChI is InChI=1S/C19H20Cl2O/c1-3-12-8-13-4-6-15(22-2)11-17(13)16(9-12)14-5-7-18(20)19(21)10-14/h4-7,10-12,16H,3,8-9H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene?
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 335.27 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159852453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).