2-[2-(4-methoxyphenoxy)propoxy]naphthalene

C20H20O3 — CID 86155874

IUPAC2-[2-(4-methoxyphenoxy)propoxy]naphthalene
SMILESCOc1ccc(OC(C)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O3/c1-15(23-19-11-9-18(21-2)10-12-19)14-22-20-8-7-16-5-3-4-6-17(16)13-20/h3-13,15H,14H2,1-2H3
InChIKeyVFHSYCKPBIAPCE-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.69
Rot. Bonds6

About 2-[2-(4-methoxyphenoxy)propoxy]naphthalene

2-[2-(4-methoxyphenoxy)propoxy]naphthalene (PubChem CID 86155874) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)propoxy]naphthalene.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)propoxy]naphthalene
PubChem CID86155874
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-[2-(4-methoxyphenoxy)propoxy]naphthalene
SMILESCOc1ccc(OC(C)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O3/c1-15(23-19-11-9-18(21-2)10-12-19)14-22-20-8-7-16-5-3-4-6-17(16)13-20/h3-13,15H,14H2,1-2H3
InChIKeyVFHSYCKPBIAPCE-UHFFFAOYSA-N
XLogP4.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxypropoxy)naphthalene
CID 155439775
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
N,N-dimethyl-1-naphthalen-2-yloxypropan-2-amine
CID 4189894
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950
2-[2-(bromomethyl)-3-methylbutoxy]naphthalene
CID 65012394
4-naphthalen-2-yloxypentan-2-ol
CID 64720616
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 16553388
2-ethoxynaphthalene
CID 118978197
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
ethoxyethane;2-ethoxynaphthalene
CID 118982387
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)propoxy]naphthalene?
The IUPAC name of 2-[2-(4-methoxyphenoxy)propoxy]naphthalene (CID 86155874) is 2-[2-(4-methoxyphenoxy)propoxy]naphthalene.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)propoxy]naphthalene?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)propoxy]naphthalene is COc1ccc(OC(C)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)propoxy]naphthalene?
The InChIKey is VFHSYCKPBIAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-15(23-19-11-9-18(21-2)10-12-19)14-22-20-8-7-16-5-3-4-6-17(16)13-20/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)propoxy]naphthalene?
2-[2-(4-methoxyphenoxy)propoxy]naphthalene has a molecular weight of 308.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)propoxy]naphthalene is sourced from PubChem (CID 86155874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).