1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol

C18H18O4 — CID 153326329

IUPAC1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol
SMILESCC(O)Oc1c2ccccc2c(OC(C)O)c2ccccc12
InChIInChI=1S/C18H18O4/c1-11(19)21-17-13-7-3-5-9-15(13)18(22-12(2)20)16-10-6-4-8-14(16)17/h3-12,19-20H,1-2H3
InChIKeyMBUBDXXNCXNVNY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.43
Rot. Bonds4

About 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol

1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol (PubChem CID 153326329) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol.

Molecular Properties

Compound Name1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol
PubChem CID153326329
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol
SMILESCC(O)Oc1c2ccccc2c(OC(C)O)c2ccccc12
InChIInChI=1S/C18H18O4/c1-11(19)21-17-13-7-3-5-9-15(13)18(22-12(2)20)16-10-6-4-8-14(16)17/h3-12,19-20H,1-2H3
InChIKeyMBUBDXXNCXNVNY-UHFFFAOYSA-N
XLogP3.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-phenoxyethanol
CID 66611531
1-phenoxyethanol;trihydrate
CID 175915128
1-[2-[2-(1-hydroxyethoxy)phenyl]phenoxy]ethanol
CID 69171334
chloroform;1-phenoxyethanol
CID 160851082
anisole;1-phenoxyethanol
CID 143208941
1-(2-ethylphenoxy)ethanol
CID 154419184
1-(1H-benzimidazol-2-yloxy)ethanol
CID 164970423
9-propan-2-yloxyanthracene
CID 13287348
magnesium;1-phenoxyethanol;sulfate
CID 159781449
2-chloro-9,10-di(propan-2-yloxy)anthracene
CID 139930221
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
CID 71095161
1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355

Frequently Asked Questions

What is the IUPAC name of 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol?
The IUPAC name of 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol (CID 153326329) is 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol.
What is the SMILES notation for 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol?
The canonical SMILES for 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol is CC(O)Oc1c2ccccc2c(OC(C)O)c2ccccc12.
What is the InChIKey of 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol?
The InChIKey is MBUBDXXNCXNVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-11(19)21-17-13-7-3-5-9-15(13)18(22-12(2)20)16-10-6-4-8-14(16)17/h3-12,19-20H,1-2H3.
What are the key properties of 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol?
1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol has a molecular weight of 298.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol is sourced from PubChem (CID 153326329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).