(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol

C17H22O2 — CID 134968550

IUPAC(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
SMILESCC(C)=CCC[C@]1(C)C=Cc2cc(O)c(C)cc2O1
InChIInChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)13(3)10-16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3/t17-/m1/s1
InChIKeyIEXIOTAVEUWCLM-QGZVFWFLSA-N
MW258.36 g/mol
LogP4.61
Rot. Bonds3

About (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol

(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol (PubChem CID 134968550) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol.

Molecular Properties

Compound Name(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
PubChem CID134968550
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
SMILESCC(C)=CCC[C@]1(C)C=Cc2cc(O)c(C)cc2O1
InChIInChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)13(3)10-16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3/t17-/m1/s1
InChIKeyIEXIOTAVEUWCLM-QGZVFWFLSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(6-hydroxy-2,7-dimethylchromen-2-yl)-2,6-dimethylnon-6-en-4-one
CID 85398673
(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
CID 177454161
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 154673208
ethyl (2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylate
CID 101265973
(E)-5-(6-hydroxy-2-methylchromen-2-yl)-2-methylpent-2-enal
CID 45270481
ethyl 7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-5-pentylchromene-6-carboxylate
CID 163016024
(2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid
CID 11696381
2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
CID 167089283
7-hex-5-ynyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 163298668
(2R,8R)-5-hydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 162972670
5-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl]pentanoic acid
CID 164591600
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromene-8-carboxylic acid;methane
CID 160826547

Frequently Asked Questions

What is the IUPAC name of (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
The IUPAC name of (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol (CID 134968550) is (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol.
What is the SMILES notation for (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
The canonical SMILES for (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol is CC(C)=CCC[C@]1(C)C=Cc2cc(O)c(C)cc2O1.
What is the InChIKey of (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
The InChIKey is IEXIOTAVEUWCLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)13(3)10-16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol?
(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol has a molecular weight of 258.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol is sourced from PubChem (CID 134968550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).