1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol

C20H20O2 — CID 58482061

IUPAC1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1c2ccc(C)cc2Cc2cc(OC)ccc21
InChIInChI=1S/C20H20O2/c1-4-5-19(21)20-17-8-6-13(2)10-14(17)11-15-12-16(22-3)7-9-18(15)20/h1,6-10,12,19-21H,5,11H2,2-3H3
InChIKeyMVPYGRMURJSQCC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.42
Rot. Bonds3

About 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol

1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol (PubChem CID 58482061) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol
PubChem CID58482061
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1c2ccc(C)cc2Cc2cc(OC)ccc21
InChIInChI=1S/C20H20O2/c1-4-5-19(21)20-17-8-6-13(2)10-14(17)11-15-12-16(22-3)7-9-18(15)20/h1,6-10,12,19-21H,5,11H2,2-3H3
InChIKeyMVPYGRMURJSQCC-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol with MolForge

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Related Compounds

1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol
CID 88897284
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262380
5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 130014165
2-(1-hydroxybut-3-ynyl)-6-methoxy-2,3-dihydroinden-1-one;2-(1-hydroxybut-3-ynyl)-3-oxo-1,2-dihydroindene-4-carbonitrile
CID 123569242
1-ethyl-5-methoxy-1,3-dihydroinden-2-one
CID 14640419
(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
CID 25139016
1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol
CID 88896998
6-methoxy-4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 118052302
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
3-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene
CID 54244396

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol?
The IUPAC name of 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol (CID 58482061) is 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol.
What is the SMILES notation for 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol?
The canonical SMILES for 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol is C#CCC(O)C1c2ccc(C)cc2Cc2cc(OC)ccc21.
What is the InChIKey of 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol?
The InChIKey is MVPYGRMURJSQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-4-5-19(21)20-17-8-6-13(2)10-14(17)11-15-12-16(22-3)7-9-18(15)20/h1,6-10,12,19-21H,5,11H2,2-3H3.
What are the key properties of 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol?
1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol has a molecular weight of 292.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol is sourced from PubChem (CID 58482061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).