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

C18H18Cl2O — CID 63430805

IUPAC6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(Cl)ccc1C(Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18Cl2O/c1-21-17-11-15(19)8-9-16(17)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-11,18H,2-5H2,1H3
InChIKeyOWNGFLLNOMNPAM-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.56
Rot. Bonds3

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

6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63430805) has the molecular formula C18H18Cl2O and a molecular weight of 321.25 g/mol. Its IUPAC name is 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63430805
Molecular FormulaC18H18Cl2O
Molecular Weight321.25 g/mol
Exact Mass320.07
IUPAC Name6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(Cl)ccc1C(Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H18Cl2O/c1-21-17-11-15(19)8-9-16(17)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-11,18H,2-5H2,1H3
InChIKeyOWNGFLLNOMNPAM-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 115369816
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803420
4-chloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2-methoxybenzene
CID 63430663
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
CID 63432686
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020619
1-[(4-butylphenyl)-chloromethyl]-4-chloro-2-methoxybenzene
CID 63431471
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63430805) is 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is COc1cc(Cl)ccc1C(Cl)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OWNGFLLNOMNPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O/c1-21-17-11-15(19)8-9-16(17)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h6-11,18H,2-5H2,1H3.
What are the key properties of 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 321.25 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63430805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).