4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane

C24H26O3 — CID 14985900

IUPAC4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2C)CCOCC1
InChIInChI=1S/C24H26O3/c1-18-22(24(25-2)12-14-26-15-13-24)8-5-9-23(18)27-17-19-10-11-20-6-3-4-7-21(20)16-19/h3-11,16H,12-15,17H2,1-2H3
InChIKeyNIMSKIKBLQYWBG-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.38
Rot. Bonds5

About 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane

4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane (PubChem CID 14985900) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane.

Molecular Properties

Compound Name4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane
PubChem CID14985900
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2C)CCOCC1
InChIInChI=1S/C24H26O3/c1-18-22(24(25-2)12-14-26-15-13-24)8-5-9-23(18)27-17-19-10-11-20-6-3-4-7-21(20)16-19/h3-11,16H,12-15,17H2,1-2H3
InChIKeyNIMSKIKBLQYWBG-UHFFFAOYSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Benzo(kl)xanthene
CID 67456
Multicaulin
CID 467782
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
Naphthalene, 1-(phenylmethoxy)-
CID 136404
1-Methoxyphenanthrene
CID 43547
Bunaprolast
CID 68730
Acrylic acid derivative, 14
CID 10136146
Acrylic acid derivative, 16
CID 10273914
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane?
The IUPAC name of 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane (CID 14985900) is 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane.
What is the SMILES notation for 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane?
The canonical SMILES for 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane is COC1(c2cccc(OCc3ccc4ccccc4c3)c2C)CCOCC1.
What is the InChIKey of 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane?
The InChIKey is NIMSKIKBLQYWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-18-22(24(25-2)12-14-26-15-13-24)8-5-9-23(18)27-17-19-10-11-20-6-3-4-7-21(20)16-19/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane?
4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane has a molecular weight of 362.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)phenyl]oxane is sourced from PubChem (CID 14985900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).