1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol

C22H26O5 — CID 142627073

IUPAC1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol
SMILESCCCC(O)c1cc(OC)c2cc3c(OC)ccc(OC)c3cc2c1OC
InChIInChI=1S/C22H26O5/c1-6-7-18(23)17-12-21(26-4)15-10-13-14(11-16(15)22(17)27-5)20(25-3)9-8-19(13)24-2/h8-12,18,23H,6-7H2,1-5H3
InChIKeyFWNNKHLPPCRQSA-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.86
Rot. Bonds7

About 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol

1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol (PubChem CID 142627073) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol
PubChem CID142627073
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol
SMILESCCCC(O)c1cc(OC)c2cc3c(OC)ccc(OC)c3cc2c1OC
InChIInChI=1S/C22H26O5/c1-6-7-18(23)17-12-21(26-4)15-10-13-14(11-16(15)22(17)27-5)20(25-3)9-8-19(13)24-2/h8-12,18,23H,6-7H2,1-5H3
InChIKeyFWNNKHLPPCRQSA-UHFFFAOYSA-N
XLogP4.86
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
CID 83951303
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol?
The IUPAC name of 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol (CID 142627073) is 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol.
What is the SMILES notation for 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol?
The canonical SMILES for 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol is CCCC(O)c1cc(OC)c2cc3c(OC)ccc(OC)c3cc2c1OC.
What is the InChIKey of 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol?
The InChIKey is FWNNKHLPPCRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-6-7-18(23)17-12-21(26-4)15-10-13-14(11-16(15)22(17)27-5)20(25-3)9-8-19(13)24-2/h8-12,18,23H,6-7H2,1-5H3.
What are the key properties of 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol?
1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol has a molecular weight of 370.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol is sourced from PubChem (CID 142627073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).