10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol

C32H50N2O4 — CID 100941913

IUPAC10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
SMILESOCCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCCCCCO)cc2)cc1
InChIInChI=1S/C32H50N2O4/c35-25-13-9-5-1-3-7-11-15-27-37-31-21-17-29(18-22-31)33-34-30-19-23-32(24-20-30)38-28-16-12-8-4-2-6-10-14-26-36/h17-24,35-36H,1-16,25-28H2/b34-33+
InChIKeyBTDVGRBOGNDUHC-JEIPZWNWSA-N
MW526.76 g/mol
LogP9.09
Rot. Bonds24

About 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol

10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol (PubChem CID 100941913) has the molecular formula C32H50N2O4 and a molecular weight of 526.76 g/mol. Its IUPAC name is 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol.

Molecular Properties

Compound Name10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
PubChem CID100941913
Molecular FormulaC32H50N2O4
Molecular Weight526.76 g/mol
Exact Mass526.38
IUPAC Name10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
SMILESOCCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCCCCCO)cc2)cc1
InChIInChI=1S/C32H50N2O4/c35-25-13-9-5-1-3-7-11-15-27-37-31-21-17-29(18-22-31)33-34-30-19-23-32(24-20-30)38-28-16-12-8-4-2-6-10-14-26-36/h17-24,35-36H,1-16,25-28H2/b34-33+
InChIKeyBTDVGRBOGNDUHC-JEIPZWNWSA-N
XLogP9.09
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.76
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
10-[4-[[4-[2-[4-(2-methoxyethoxy)phenyl]ethynyl]phenyl]diazenyl]phenoxy]decan-1-ol
CID 102104313
3-[4-[(4-methoxyphenyl)diazenyl]phenoxy]propan-1-ol
CID 86231691
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol
CID 139076124
bis(4-heptoxyphenyl)diazene
CID 13087198
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500

Frequently Asked Questions

What is the IUPAC name of 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol?
The IUPAC name of 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol (CID 100941913) is 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol.
What is the SMILES notation for 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol?
The canonical SMILES for 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol is OCCCCCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCCCCCO)cc2)cc1.
What is the InChIKey of 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol?
The InChIKey is BTDVGRBOGNDUHC-JEIPZWNWSA-N. The full InChI is InChI=1S/C32H50N2O4/c35-25-13-9-5-1-3-7-11-15-27-37-31-21-17-29(18-22-31)33-34-30-19-23-32(24-20-30)38-28-16-12-8-4-2-6-10-14-26-36/h17-24,35-36H,1-16,25-28H2/b34-33+.
What are the key properties of 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol?
10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol has a molecular weight of 526.76 g/mol, XLogP of 9.09, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol is sourced from PubChem (CID 100941913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).