methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol

C20H24O2 — CID 142068368

IUPACmethane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol
SMILESC.C=CCC1c2ccccc2OCC1(C)c1ccc(O)cc1
InChIInChI=1S/C19H20O2.CH4/c1-3-6-17-16-7-4-5-8-18(16)21-13-19(17,2)14-9-11-15(20)12-10-14;/h3-5,7-12,17,20H,1,6,13H2,2H3;1H4
InChIKeyIBOOXUFRMFTMEX-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.04
Rot. Bonds3

About methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol

methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol (PubChem CID 142068368) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol.

Molecular Properties

Compound Namemethane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol
PubChem CID142068368
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Namemethane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol
SMILESC.C=CCC1c2ccccc2OCC1(C)c1ccc(O)cc1
InChIInChI=1S/C19H20O2.CH4/c1-3-6-17-16-7-4-5-8-18(16)21-13-19(17,2)14-9-11-15(20)12-10-14;/h3-5,7-12,17,20H,1,6,13H2,2H3;1H4
InChIKeyIBOOXUFRMFTMEX-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol?
The IUPAC name of methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol (CID 142068368) is methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol.
What is the SMILES notation for methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol?
The canonical SMILES for methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol is C.C=CCC1c2ccccc2OCC1(C)c1ccc(O)cc1.
What is the InChIKey of methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol?
The InChIKey is IBOOXUFRMFTMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2.CH4/c1-3-6-17-16-7-4-5-8-18(16)21-13-19(17,2)14-9-11-15(20)12-10-14;/h3-5,7-12,17,20H,1,6,13H2,2H3;1H4.
What are the key properties of methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol?
methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol has a molecular weight of 296.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(3-methyl-4-prop-2-enyl-2,4-dihydrochromen-3-yl)phenol is sourced from PubChem (CID 142068368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).