7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene

C20H19ClO — CID 139260247

IUPAC7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
SMILESCCCc1ccc2ccc(Cl)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C20H19ClO/c1-3-4-15-6-5-14-7-10-17(21)13-19(14)20(15)16-8-11-18(22-2)12-9-16/h5-13H,3-4H2,1-2H3
InChIKeyLEBMMYGFBLZPBP-UHFFFAOYSA-N
MW310.82 g/mol
LogP6.12
Rot. Bonds4

About 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene

7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene (PubChem CID 139260247) has the molecular formula C20H19ClO and a molecular weight of 310.82 g/mol. Its IUPAC name is 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene.

Molecular Properties

Compound Name7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
PubChem CID139260247
Molecular FormulaC20H19ClO
Molecular Weight310.82 g/mol
Exact Mass310.11
IUPAC Name7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
SMILESCCCc1ccc2ccc(Cl)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C20H19ClO/c1-3-4-15-6-5-14-7-10-17(21)13-19(14)20(15)16-8-11-18(22-2)12-9-16/h5-13H,3-4H2,1-2H3
InChIKeyLEBMMYGFBLZPBP-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.82
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methoxyphenyl)-6-methyl-3-propyl-9H-carbazole
CID 141476101
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene
CID 139863571
4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole
CID 57106396
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
5-methoxy-2-propylphenol
CID 12836519
CID 159925855
CID 159925855
1-(7-methoxy-1-phenylnaphthalen-2-yl)heptan-2-one
CID 159161749
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene?
The IUPAC name of 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene (CID 139260247) is 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene.
What is the SMILES notation for 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene?
The canonical SMILES for 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene is CCCc1ccc2ccc(Cl)cc2c1-c1ccc(OC)cc1.
What is the InChIKey of 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene?
The InChIKey is LEBMMYGFBLZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO/c1-3-4-15-6-5-14-7-10-17(21)13-19(14)20(15)16-8-11-18(22-2)12-9-16/h5-13H,3-4H2,1-2H3.
What are the key properties of 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene?
7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene has a molecular weight of 310.82 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene is sourced from PubChem (CID 139260247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).