2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene

C24H26O2 — CID 14985898

IUPAC2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCCC1
InChIInChI=1S/C24H26O2/c1-25-24(14-5-2-6-15-24)22-10-7-11-23(17-22)26-18-19-12-13-20-8-3-4-9-21(20)16-19/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3
InChIKeyUVUNOGVKWSTXDF-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.22
Rot. Bonds5

About 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene

2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene (PubChem CID 14985898) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene.

Molecular Properties

Compound Name2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene
PubChem CID14985898
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCCC1
InChIInChI=1S/C24H26O2/c1-25-24(14-5-2-6-15-24)22-10-7-11-23(17-22)26-18-19-12-13-20-8-3-4-9-21(20)16-19/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3
InChIKeyUVUNOGVKWSTXDF-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene?
The IUPAC name of 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene (CID 14985898) is 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene.
What is the SMILES notation for 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene?
The canonical SMILES for 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene is COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCCC1.
What is the InChIKey of 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene?
The InChIKey is UVUNOGVKWSTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-25-24(14-5-2-6-15-24)22-10-7-11-23(17-22)26-18-19-12-13-20-8-3-4-9-21(20)16-19/h3-4,7-13,16-17H,2,5-6,14-15,18H2,1H3.
What are the key properties of 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene?
2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene has a molecular weight of 346.47 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methoxycyclohexyl)phenoxy]methyl]naphthalene is sourced from PubChem (CID 14985898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).