2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene

C33H38O2 — CID 139782099

IUPAC2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
SMILESCCCCCCCCCCOc1ccc(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc1
InChIInChI=1S/C33H38O2/c1-2-3-4-5-6-7-8-12-23-34-32-20-17-28(18-21-32)29-15-16-31-25-33(22-19-30(31)24-29)35-26-27-13-10-9-11-14-27/h9-11,13-22,24-25H,2-8,12,23,26H2,1H3
InChIKeyHDFNIXWFYBMMJQ-UHFFFAOYSA-N
MW466.67 g/mol
LogP9.61
Rot. Bonds14

About 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene

2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene (PubChem CID 139782099) has the molecular formula C33H38O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene.

Molecular Properties

Compound Name2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
PubChem CID139782099
Molecular FormulaC33H38O2
Molecular Weight466.67 g/mol
Exact Mass466.29
IUPAC Name2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
SMILESCCCCCCCCCCOc1ccc(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc1
InChIInChI=1S/C33H38O2/c1-2-3-4-5-6-7-8-12-23-34-32-20-17-28(18-21-32)29-15-16-31-25-33(22-19-30(31)24-29)35-26-27-13-10-9-11-14-27/h9-11,13-22,24-25H,2-8,12,23,26H2,1H3
InChIKeyHDFNIXWFYBMMJQ-UHFFFAOYSA-N
XLogP9.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
2-(4-octoxyphenyl)-5-(3-phenylmethoxyphenyl)pyrimidine
CID 19386221
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
phenoxymethylbenzene;tetradecane
CID 175006528
1-pentoxy-4-phenylbenzene
CID 7021155
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
CID 101113264

Frequently Asked Questions

What is the IUPAC name of 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene?
The IUPAC name of 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene (CID 139782099) is 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene.
What is the SMILES notation for 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene?
The canonical SMILES for 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene is CCCCCCCCCCOc1ccc(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc1.
What is the InChIKey of 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene?
The InChIKey is HDFNIXWFYBMMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38O2/c1-2-3-4-5-6-7-8-12-23-34-32-20-17-28(18-21-32)29-15-16-31-25-33(22-19-30(31)24-29)35-26-27-13-10-9-11-14-27/h9-11,13-22,24-25H,2-8,12,23,26H2,1H3.
What are the key properties of 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene?
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene has a molecular weight of 466.67 g/mol, XLogP of 9.61, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene is sourced from PubChem (CID 139782099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).