2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene

C28H28O2 — CID 3067605

IUPAC2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
SMILESCc1ccc2cc(C(C)(C)COCc3cccc(Oc4ccccc4)c3)ccc2c1
InChIInChI=1S/C28H28O2/c1-21-12-13-24-18-25(15-14-23(24)16-21)28(2,3)20-29-19-22-8-7-11-27(17-22)30-26-9-5-4-6-10-26/h4-18H,19-20H2,1-3H3
InChIKeyKDLQRFWJFBUQAN-UHFFFAOYSA-N
MW396.53 g/mol
LogP7.43
Rot. Bonds7

About 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene

2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene (PubChem CID 3067605) has the molecular formula C28H28O2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene.

Molecular Properties

Compound Name2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
PubChem CID3067605
Molecular FormulaC28H28O2
Molecular Weight396.53 g/mol
Exact Mass396.21
IUPAC Name2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
SMILESCc1ccc2cc(C(C)(C)COCc3cccc(Oc4ccccc4)c3)ccc2c1
InChIInChI=1S/C28H28O2/c1-21-12-13-24-18-25(15-14-23(24)16-21)28(2,3)20-29-19-22-8-7-11-27(17-22)30-26-9-5-4-6-10-26/h4-18H,19-20H2,1-3H3
InChIKeyKDLQRFWJFBUQAN-UHFFFAOYSA-N
XLogP7.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
The IUPAC name of 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene (CID 3067605) is 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene.
What is the SMILES notation for 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
The canonical SMILES for 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene is Cc1ccc2cc(C(C)(C)COCc3cccc(Oc4ccccc4)c3)ccc2c1.
What is the InChIKey of 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
The InChIKey is KDLQRFWJFBUQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O2/c1-21-12-13-24-18-25(15-14-23(24)16-21)28(2,3)20-29-19-22-8-7-11-27(17-22)30-26-9-5-4-6-10-26/h4-18H,19-20H2,1-3H3.
What are the key properties of 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene?
2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene has a molecular weight of 396.53 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene is sourced from PubChem (CID 3067605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).