2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene

C23H28O2 — CID 14210609

IUPAC2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene
SMILESC=CCC1(C)CCc2c(C)c(OCc3ccccc3)c(C)c(C)c2O1
InChIInChI=1S/C23H28O2/c1-6-13-23(5)14-12-20-18(4)21(16(2)17(3)22(20)25-23)24-15-19-10-8-7-9-11-19/h6-11H,1,12-15H2,2-5H3
InChIKeyJSWAVXOAUSNFRA-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.85
Rot. Bonds5

About 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene

2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene (PubChem CID 14210609) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene
PubChem CID14210609
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene
SMILESC=CCC1(C)CCc2c(C)c(OCc3ccccc3)c(C)c(C)c2O1
InChIInChI=1S/C23H28O2/c1-6-13-23(5)14-12-20-18(4)21(16(2)17(3)22(20)25-23)24-15-19-10-8-7-9-11-19/h6-11H,1,12-15H2,2-5H3
InChIKeyJSWAVXOAUSNFRA-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.85
H-Bond Donors ≤ 50
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 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene?
The IUPAC name of 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene (CID 14210609) is 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene.
What is the SMILES notation for 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene?
The canonical SMILES for 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene is C=CCC1(C)CCc2c(C)c(OCc3ccccc3)c(C)c(C)c2O1.
What is the InChIKey of 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene?
The InChIKey is JSWAVXOAUSNFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-6-13-23(5)14-12-20-18(4)21(16(2)17(3)22(20)25-23)24-15-19-10-8-7-9-11-19/h6-11H,1,12-15H2,2-5H3.
What are the key properties of 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene?
2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene has a molecular weight of 336.48 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene is sourced from PubChem (CID 14210609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).