2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene

C27H26O2 — CID 3067138

IUPAC2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H26O2/c1-27(2,24-16-15-22-10-6-7-11-23(22)18-24)20-28-19-21-9-8-14-26(17-21)29-25-12-4-3-5-13-25/h3-18H,19-20H2,1-2H3
InChIKeyNKPGRZLYCVNWQG-UHFFFAOYSA-N
MW382.50 g/mol
LogP7.13
Rot. Bonds7

About 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene

2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene (PubChem CID 3067138) has the molecular formula C27H26O2 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene.

Molecular Properties

Compound Name2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
PubChem CID3067138
Molecular FormulaC27H26O2
Molecular Weight382.50 g/mol
Exact Mass382.19
IUPAC Name2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H26O2/c1-27(2,24-16-15-22-10-6-7-11-23(22)18-24)20-28-19-21-9-8-14-26(17-21)29-25-12-4-3-5-13-25/h3-18H,19-20H2,1-2H3
InChIKeyNKPGRZLYCVNWQG-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
The IUPAC name of 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene (CID 3067138) is 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene.
What is the SMILES notation for 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
The canonical SMILES for 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
The InChIKey is NKPGRZLYCVNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O2/c1-27(2,24-16-15-22-10-6-7-11-23(22)18-24)20-28-19-21-9-8-14-26(17-21)29-25-12-4-3-5-13-25/h3-18H,19-20H2,1-2H3.
What are the key properties of 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene has a molecular weight of 382.50 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene is sourced from PubChem (CID 3067138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).