1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene

C18H20O — CID 54031428

IUPAC1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc(C2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H20O/c1-13-12-15(10-11-18(13)19-2)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3
InChIKeyLFWGSZRDWIGVSY-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.47
Rot. Bonds2

About 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene

1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 54031428) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID54031428
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc(C2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H20O/c1-13-12-15(10-11-18(13)19-2)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3
InChIKeyLFWGSZRDWIGVSY-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 7119
CID 7119
CID 11943
CID 11943
CID 81221
CID 81221
CID 16668
CID 16668
CID 16582
CID 16582
CID 83107
CID 83107
CID 123080
CID 123080
CID 6835
CID 6835
CID 74414
CID 74414
CID 13264
CID 13264
CID 155160
CID 155160
CID 16484
CID 16484

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 54031428) is 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene is COc1ccc(C2CCCc3ccccc32)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LFWGSZRDWIGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-13-12-15(10-11-18(13)19-2)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene?
1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 252.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 54031428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).