1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene

C34H46O — CID 139657430

IUPAC1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene
SMILESCCCCCCCCCCc1ccc(-c2ccc(CCCC(C)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C34H46O/c1-3-4-5-6-7-8-9-11-16-30-20-24-33(25-21-30)34-26-22-31(23-27-34)19-14-15-29(2)35-28-32-17-12-10-13-18-32/h10,12-13,17-18,20-27,29H,3-9,11,14-16,19,28H2,1-2H3
InChIKeyDAOBGUDNTZZWSE-UHFFFAOYSA-N
MW470.74 g/mol
LogP9.96
Rot. Bonds17

About 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene

1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene (PubChem CID 139657430) has the molecular formula C34H46O and a molecular weight of 470.74 g/mol. Its IUPAC name is 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene.

Molecular Properties

Compound Name1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene
PubChem CID139657430
Molecular FormulaC34H46O
Molecular Weight470.74 g/mol
Exact Mass470.35
IUPAC Name1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene
SMILESCCCCCCCCCCc1ccc(-c2ccc(CCCC(C)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C34H46O/c1-3-4-5-6-7-8-9-11-16-30-20-24-33(25-21-30)34-26-22-31(23-27-34)19-14-15-29(2)35-28-32-17-12-10-13-18-32/h10,12-13,17-18,20-27,29H,3-9,11,14-16,19,28H2,1-2H3
InChIKeyDAOBGUDNTZZWSE-UHFFFAOYSA-N
XLogP9.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentadecyl-4-phenylbenzene
CID 57166115
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
[(2R)-4-methyl-1-octadecan-2-yloxypentan-2-yl]oxymethylbenzene
CID 118885499
4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol
CID 139657317
dodecylbenzene;sulfane
CID 20560423
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene?
The IUPAC name of 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene (CID 139657430) is 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene.
What is the SMILES notation for 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene?
The canonical SMILES for 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene is CCCCCCCCCCc1ccc(-c2ccc(CCCC(C)OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene?
The InChIKey is DAOBGUDNTZZWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O/c1-3-4-5-6-7-8-9-11-16-30-20-24-33(25-21-30)34-26-22-31(23-27-34)19-14-15-29(2)35-28-32-17-12-10-13-18-32/h10,12-13,17-18,20-27,29H,3-9,11,14-16,19,28H2,1-2H3.
What are the key properties of 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene?
1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene has a molecular weight of 470.74 g/mol, XLogP of 9.96, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-[4-(4-phenylmethoxypentyl)phenyl]benzene is sourced from PubChem (CID 139657430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).