3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol

C23H30O3 — CID 11089544

IUPAC3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol
SMILESOC1Cc2cc3ccccc3cc2CC1CCCCOC1CCCCO1
InChIInChI=1S/C23H30O3/c24-22-16-21-14-18-8-2-1-7-17(18)13-20(21)15-19(22)9-3-5-11-25-23-10-4-6-12-26-23/h1-2,7-8,13-14,19,22-24H,3-6,9-12,15-16H2
InChIKeyDGQIGSSQGDVRNS-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.63
Rot. Bonds6

About 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol

3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol (PubChem CID 11089544) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol.

Molecular Properties

Compound Name3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol
PubChem CID11089544
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol
SMILESOC1Cc2cc3ccccc3cc2CC1CCCCOC1CCCCO1
InChIInChI=1S/C23H30O3/c24-22-16-21-14-18-8-2-1-7-17(18)13-20(21)15-19(22)9-3-5-11-25-23-10-4-6-12-26-23/h1-2,7-8,13-14,19,22-24H,3-6,9-12,15-16H2
InChIKeyDGQIGSSQGDVRNS-UHFFFAOYSA-N
XLogP4.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate
CID 119040609
[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
CID 10890082
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
2-(2-phenoxyethoxy)oxane
CID 11736193
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
CID 140553282
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol?
The IUPAC name of 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol (CID 11089544) is 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol.
What is the SMILES notation for 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol?
The canonical SMILES for 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol is OC1Cc2cc3ccccc3cc2CC1CCCCOC1CCCCO1.
What is the InChIKey of 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol?
The InChIKey is DGQIGSSQGDVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c24-22-16-21-14-18-8-2-1-7-17(18)13-20(21)15-19(22)9-3-5-11-25-23-10-4-6-12-26-23/h1-2,7-8,13-14,19,22-24H,3-6,9-12,15-16H2.
What are the key properties of 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol?
3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol has a molecular weight of 354.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol is sourced from PubChem (CID 11089544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).