(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate

C15H20O4 — CID 89221071

IUPAC(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate
SMILESCCC(=O)Oc1cc2c(cc1OC)OC(C)(C)CC2
InChIInChI=1S/C15H20O4/c1-5-14(16)18-13-8-10-6-7-15(2,3)19-11(10)9-12(13)17-4/h8-9H,5-7H2,1-4H3
InChIKeyLVCRNVYUXKGHGL-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.11
Rot. Bonds3

About (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate

(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate (PubChem CID 89221071) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate.

Molecular Properties

Compound Name(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate
PubChem CID89221071
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate
SMILESCCC(=O)Oc1cc2c(cc1OC)OC(C)(C)CC2
InChIInChI=1S/C15H20O4/c1-5-14(16)18-13-8-10-6-7-15(2,3)19-11(10)9-12(13)17-4/h8-9H,5-7H2,1-4H3
InChIKeyLVCRNVYUXKGHGL-UHFFFAOYSA-N
XLogP3.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate?
The IUPAC name of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate (CID 89221071) is (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate.
What is the SMILES notation for (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate?
The canonical SMILES for (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate is CCC(=O)Oc1cc2c(cc1OC)OC(C)(C)CC2.
What is the InChIKey of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate?
The InChIKey is LVCRNVYUXKGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-14(16)18-13-8-10-6-7-15(2,3)19-11(10)9-12(13)17-4/h8-9H,5-7H2,1-4H3.
What are the key properties of (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate?
(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate has a molecular weight of 264.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate is sourced from PubChem (CID 89221071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).