6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol

C19H20O2 — CID 164665605

IUPAC6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol
SMILESC=CCc1ccccc1C1(O)CCOc2ccc(C)cc21
InChIInChI=1S/C19H20O2/c1-3-6-15-7-4-5-8-16(15)19(20)11-12-21-18-10-9-14(2)13-17(18)19/h3-5,7-10,13,20H,1,6,11-12H2,2H3
InChIKeyZUIIYTFGSYQRKX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.74
Rot. Bonds3

About 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol

6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol (PubChem CID 164665605) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol
PubChem CID164665605
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol
SMILESC=CCc1ccccc1C1(O)CCOc2ccc(C)cc21
InChIInChI=1S/C19H20O2/c1-3-6-15-7-4-5-8-16(15)19(20)11-12-21-18-10-9-14(2)13-17(18)19/h3-5,7-10,13,20H,1,6,11-12H2,2H3
InChIKeyZUIIYTFGSYQRKX-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.74
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 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol?
The IUPAC name of 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol (CID 164665605) is 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol?
The canonical SMILES for 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol is C=CCc1ccccc1C1(O)CCOc2ccc(C)cc21.
What is the InChIKey of 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol?
The InChIKey is ZUIIYTFGSYQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-6-15-7-4-5-8-16(15)19(20)11-12-21-18-10-9-14(2)13-17(18)19/h3-5,7-10,13,20H,1,6,11-12H2,2H3.
What are the key properties of 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol?
6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol has a molecular weight of 280.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-prop-2-enylphenyl)-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 164665605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).