2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene

C26H30O3 — CID 19899554

IUPAC2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene
SMILESCOC1(C)CCC(OC)(c2cccc(OCc3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C26H30O3/c1-25(27-2)13-15-26(28-3,16-14-25)23-9-6-10-24(18-23)29-19-20-11-12-21-7-4-5-8-22(21)17-20/h4-12,17-18H,13-16,19H2,1-3H3
InChIKeyHPUAPFYQJGSMJP-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.24
Rot. Bonds6

About 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene

2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene (PubChem CID 19899554) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene.

Molecular Properties

Compound Name2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene
PubChem CID19899554
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene
SMILESCOC1(C)CCC(OC)(c2cccc(OCc3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C26H30O3/c1-25(27-2)13-15-26(28-3,16-14-25)23-9-6-10-24(18-23)29-19-20-11-12-21-7-4-5-8-22(21)17-20/h4-12,17-18H,13-16,19H2,1-3H3
InChIKeyHPUAPFYQJGSMJP-UHFFFAOYSA-N
XLogP6.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 19899551
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane
CID 154446949
4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
CID 14985899
2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane
CID 19756612
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
CID 67797905
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
7-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]imidazo[1,2-a]quinoline
CID 24876307
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene
CID 70366053

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene?
The IUPAC name of 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene (CID 19899554) is 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene.
What is the SMILES notation for 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene?
The canonical SMILES for 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene is COC1(C)CCC(OC)(c2cccc(OCc3ccc4ccccc4c3)c2)CC1.
What is the InChIKey of 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene?
The InChIKey is HPUAPFYQJGSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-25(27-2)13-15-26(28-3,16-14-25)23-9-6-10-24(18-23)29-19-20-11-12-21-7-4-5-8-22(21)17-20/h4-12,17-18H,13-16,19H2,1-3H3.
What are the key properties of 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene?
2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene has a molecular weight of 390.52 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene is sourced from PubChem (CID 19899554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).