6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C20H23Cl — CID 63431080

IUPAC6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc(C(Cl)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H23Cl/c1-14(2)15-7-10-17(11-8-15)20(21)19-12-9-16-5-3-4-6-18(16)13-19/h7-14,20H,3-6H2,1-2H3
InChIKeyNLSKMXYJAPRTLS-UHFFFAOYSA-N
MW298.86 g/mol
LogP6.02
Rot. Bonds3

About 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63431080) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63431080
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)c1ccc(C(Cl)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H23Cl/c1-14(2)15-7-10-17(11-8-15)20(21)19-12-9-16-5-3-4-6-18(16)13-19/h7-14,20H,3-6H2,1-2H3
InChIKeyNLSKMXYJAPRTLS-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
6-[chloro-(3-chloro-4-iodophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 103210512
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
CID 63431176
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 114021592
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63431080) is 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc(C(Cl)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NLSKMXYJAPRTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-14(2)15-7-10-17(11-8-15)20(21)19-12-9-16-5-3-4-6-18(16)13-19/h7-14,20H,3-6H2,1-2H3.
What are the key properties of 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 298.86 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63431080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).