1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene

C17H18O — CID 138512234

IUPAC1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc(C2CCCc3ccccc32)c1
InChIInChI=1S/C17H18O/c1-18-15-9-4-8-14(12-15)17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17H,5,7,11H2,1H3
InChIKeyNGEALMXPYCYLNO-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.16
Rot. Bonds2

About 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene

1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 138512234) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID138512234
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc(C2CCCc3ccccc32)c1
InChIInChI=1S/C17H18O/c1-18-15-9-4-8-14(12-15)17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17H,5,7,11H2,1H3
InChIKeyNGEALMXPYCYLNO-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxynaphthalene
CID 7119
Thymyl methyl ether
CID 14104
4-Methoxybiphenyl
CID 11943
Carvacryl methyl ether
CID 80790
2-Ethoxynaphthalene
CID 7129
1-Methoxynaphthalene
CID 16668
2-(2-Methylpropoxy)naphthalene
CID 16582
1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
2-Methoxybiphenyl
CID 6835
6-Methoxytetralin
CID 74414
1,1'-Biphenyl, 4,4'-dimethoxy-
CID 16484

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene (CID 138512234) is 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene is COc1cccc(C2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NGEALMXPYCYLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-18-15-9-4-8-14(12-15)17-11-5-7-13-6-2-3-10-16(13)17/h2-4,6,8-10,12,17H,5,7,11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 238.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 138512234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).