7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol

C20H28O2 — CID 154673208

IUPAC7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
SMILESCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
InChIInChI=1S/C20H28O2/c1-5-6-9-16-13-18(21)17-10-12-20(4,22-19(17)14-16)11-7-8-15(2)3/h8,10,12-14,21H,5-7,9,11H2,1-4H3
InChIKeyKTPDAZGMXXWSMU-UHFFFAOYSA-N
MW300.44 g/mol
LogP5.65
Rot. Bonds6

About 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol

7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol (PubChem CID 154673208) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol.

Molecular Properties

Compound Name7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
PubChem CID154673208
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
SMILESCCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
InChIInChI=1S/C20H28O2/c1-5-6-9-16-13-18(21)17-10-12-20(4,22-19(17)14-16)11-7-8-15(2)3/h8,10,12-14,21H,5-7,9,11H2,1-4H3
InChIKeyKTPDAZGMXXWSMU-UHFFFAOYSA-N
XLogP5.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hex-5-ynyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 163298668
5-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl]pentanoic acid
CID 164591600
(2S,3S,4R,5R)-6-[7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]oxy-5-(hydroxymethyl)oxane-2,3,4-triol
CID 163298716
2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
CID 167089283
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
CID 157227959
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-8-carboxylic acid
CID 130433429
ethyl 7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-5-pentylchromene-6-carboxylate
CID 163016024
(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
CID 134968550
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 161370734
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromene-8-carboxylic acid;methane
CID 160826547
4-[[(2S)-3-methyl-1-[(2S)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-yl]oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 166461127
(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol
CID 162946144

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol?
The IUPAC name of 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol (CID 154673208) is 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol.
What is the SMILES notation for 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol?
The canonical SMILES for 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol is CCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2.
What is the InChIKey of 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol?
The InChIKey is KTPDAZGMXXWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-5-6-9-16-13-18(21)17-10-12-20(4,22-19(17)14-16)11-7-8-15(2)3/h8,10,12-14,21H,5-7,9,11H2,1-4H3.
What are the key properties of 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol?
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol has a molecular weight of 300.44 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol is sourced from PubChem (CID 154673208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).