1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene

C19H18Cl2 — CID 59143933

IUPAC1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene
SMILESCC(C)C1=CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H18Cl2/c1-12(2)14-8-9-15(17-6-4-3-5-16(14)17)13-7-10-18(20)19(21)11-13/h3-8,10-12,15H,9H2,1-2H3
InChIKeyPIMBAALTNOTMMX-UHFFFAOYSA-N
MW317.26 g/mol
LogP6.57
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene

1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene (PubChem CID 59143933) has the molecular formula C19H18Cl2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene
PubChem CID59143933
Molecular FormulaC19H18Cl2
Molecular Weight317.26 g/mol
Exact Mass316.08
IUPAC Name1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene
SMILESCC(C)C1=CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H18Cl2/c1-12(2)14-8-9-15(17-6-4-3-5-16(14)17)13-7-10-18(20)19(21)11-13/h3-8,10-12,15H,9H2,1-2H3
InChIKeyPIMBAALTNOTMMX-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.26
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1-yl]formamide
CID 118671103
(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine
CID 138728521
4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 169438227
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
CID 45280211
CID 45280211
(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 87161945
(2Z)-4-(3,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3,4-dihydronaphthalen-1-one
CID 67426551
N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 73033678
(R)-N-[(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 69098024
(NE,R)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-methylpropane-2-sulfinamide
CID 71315985
6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline
CID 3344455
(1S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408686

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene (CID 59143933) is 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene is CC(C)C1=CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene?
The InChIKey is PIMBAALTNOTMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2/c1-12(2)14-8-9-15(17-6-4-3-5-16(14)17)13-7-10-18(20)19(21)11-13/h3-8,10-12,15H,9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene?
1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene has a molecular weight of 317.26 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-propan-2-yl-1,2-dihydronaphthalene is sourced from PubChem (CID 59143933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).