6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol

C26H34O4 — CID 153326321

IUPAC6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
SMILESOCCCCCCOc1c2ccccc2c(OCCCCCCO)c2ccccc12
InChIInChI=1S/C26H34O4/c27-17-9-1-3-11-19-29-25-21-13-5-7-15-23(21)26(24-16-8-6-14-22(24)25)30-20-12-4-2-10-18-28/h5-8,13-16,27-28H,1-4,9-12,17-20H2
InChIKeyUZHXDQOGECEKHT-UHFFFAOYSA-N
MW410.55 g/mol
LogP5.86
Rot. Bonds14

About 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol

6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol (PubChem CID 153326321) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol.

Molecular Properties

Compound Name6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
PubChem CID153326321
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
SMILESOCCCCCCOc1c2ccccc2c(OCCCCCCO)c2ccccc12
InChIInChI=1S/C26H34O4/c27-17-9-1-3-11-19-29-25-21-13-5-7-15-23(21)26(24-16-8-6-14-22(24)25)30-20-12-4-2-10-18-28/h5-8,13-16,27-28H,1-4,9-12,17-20H2
InChIKeyUZHXDQOGECEKHT-UHFFFAOYSA-N
XLogP5.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
7-phenoxyheptan-1-ol
CID 15856264
9,10-dioctoxyanthracene
CID 21304201
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
6-[10-(5-oxohexoxy)anthracen-9-yl]oxyhexan-2-one
CID 172550093

Frequently Asked Questions

What is the IUPAC name of 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol?
The IUPAC name of 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol (CID 153326321) is 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol.
What is the SMILES notation for 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol?
The canonical SMILES for 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol is OCCCCCCOc1c2ccccc2c(OCCCCCCO)c2ccccc12.
What is the InChIKey of 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol?
The InChIKey is UZHXDQOGECEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c27-17-9-1-3-11-19-29-25-21-13-5-7-15-23(21)26(24-16-8-6-14-22(24)25)30-20-12-4-2-10-18-28/h5-8,13-16,27-28H,1-4,9-12,17-20H2.
What are the key properties of 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol?
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol has a molecular weight of 410.55 g/mol, XLogP of 5.86, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol is sourced from PubChem (CID 153326321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).