(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene

C16H20O — CID 177454161

IUPAC(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
SMILESCC(C)=CCC[C@]1(C)C=Cc2ccccc2O1
InChIInChI=1S/C16H20O/c1-13(2)7-6-11-16(3)12-10-14-8-4-5-9-15(14)17-16/h4-5,7-10,12H,6,11H2,1-3H3/t16-/m1/s1
InChIKeyHCILSAHRTJJNJS-MRXNPFEDSA-N
MW228.34 g/mol
LogP4.60
Rot. Bonds3

About (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene

(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene (PubChem CID 177454161) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene.

Molecular Properties

Compound Name(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
PubChem CID177454161
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
SMILESCC(C)=CCC[C@]1(C)C=Cc2ccccc2O1
InChIInChI=1S/C16H20O/c1-13(2)7-6-11-16(3)12-10-14-8-4-5-9-15(14)17-16/h4-5,7-10,12H,6,11H2,1-3H3/t16-/m1/s1
InChIKeyHCILSAHRTJJNJS-MRXNPFEDSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
CID 134968550
4,11-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4,11-dimethyl-3,12-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),5,8(13),9,14,16-heptaene
CID 162664301
1-[(2S)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
CID 163042098
(E)-5-(6-hydroxy-2-methylchromen-2-yl)-2-methylpent-2-enal
CID 45270481
(2S)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-[(E)-2-phenylethenyl]chromene-6-carboxylic acid
CID 75593459
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 154673208
9-hydroxy-8-[3-[(3R)-9-hydroxy-3-methyl-3-(4-methylpent-3-enyl)-7,10-dioxobenzo[f]chromen-8-yl]-1,4-dioxonaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione
CID 136862759
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-methyl-8-(4-methylpent-3-enyl)pyrano[2,3-h]chromen-4-one
CID 122203736
8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione
CID 4301466
(2R)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydro-6H-chromen-5-one
CID 34179334
2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine
CID 135271324
2-[2,7-dimethyl-2-(4-methylpent-3-enyl)-5-oxopyrano[3,2-c]pyridin-6-yl]acetic acid
CID 110091397

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
The IUPAC name of (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene (CID 177454161) is (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene.
What is the SMILES notation for (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
The canonical SMILES for (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene is CC(C)=CCC[C@]1(C)C=Cc2ccccc2O1.
What is the InChIKey of (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
The InChIKey is HCILSAHRTJJNJS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20O/c1-13(2)7-6-11-16(3)12-10-14-8-4-5-9-15(14)17-16/h4-5,7-10,12H,6,11H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene?
(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene has a molecular weight of 228.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(4-methylpent-3-enyl)chromene is sourced from PubChem (CID 177454161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).