2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene

C27H26O — CID 142214183

IUPAC2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene
SMILESCCCc1ccc(COc2ccccc2)cc1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H26O/c1-2-8-23-16-14-22(20-28-27-11-4-3-5-12-27)19-26(23)18-21-13-15-24-9-6-7-10-25(24)17-21/h3-7,9-17,19H,2,8,18,20H2,1H3
InChIKeyCDKWRGCPWROJTR-UHFFFAOYSA-N
MW366.50 g/mol
LogP6.96
Rot. Bonds7

About 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene

2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene (PubChem CID 142214183) has the molecular formula C27H26O and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene.

Molecular Properties

Compound Name2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene
PubChem CID142214183
Molecular FormulaC27H26O
Molecular Weight366.50 g/mol
Exact Mass366.20
IUPAC Name2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene
SMILESCCCc1ccc(COc2ccccc2)cc1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H26O/c1-2-8-23-16-14-22(20-28-27-11-4-3-5-12-27)19-26(23)18-21-13-15-24-9-6-7-10-25(24)17-21/h3-7,9-17,19H,2,8,18,20H2,1H3
InChIKeyCDKWRGCPWROJTR-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene?
The IUPAC name of 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene (CID 142214183) is 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene.
What is the SMILES notation for 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene?
The canonical SMILES for 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene is CCCc1ccc(COc2ccccc2)cc1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene?
The InChIKey is CDKWRGCPWROJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O/c1-2-8-23-16-14-22(20-28-27-11-4-3-5-12-27)19-26(23)18-21-13-15-24-9-6-7-10-25(24)17-21/h3-7,9-17,19H,2,8,18,20H2,1H3.
What are the key properties of 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene?
2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene has a molecular weight of 366.50 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene is sourced from PubChem (CID 142214183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).