2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol

C17H23NO2S — CID 53375198

IUPAC2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
SMILESCCCNC1c2ccc3cc(C)sc3c2OC(C)(C)C1O
InChIInChI=1S/C17H23NO2S/c1-5-8-18-13-12-7-6-11-9-10(2)21-15(11)14(12)20-17(3,4)16(13)19/h6-7,9,13,16,18-19H,5,8H2,1-4H3
InChIKeyFIDSNAQUWBQPAM-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.78
Rot. Bonds3

About 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol

2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol (PubChem CID 53375198) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol.

Molecular Properties

Compound Name2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
PubChem CID53375198
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
SMILESCCCNC1c2ccc3cc(C)sc3c2OC(C)(C)C1O
InChIInChI=1S/C17H23NO2S/c1-5-8-18-13-12-7-6-11-9-10(2)21-15(11)14(12)20-17(3,4)16(13)19/h6-7,9,13,16,18-19H,5,8H2,1-4H3
InChIKeyFIDSNAQUWBQPAM-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
The IUPAC name of 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol (CID 53375198) is 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol.
What is the SMILES notation for 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
The canonical SMILES for 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol is CCCNC1c2ccc3cc(C)sc3c2OC(C)(C)C1O.
What is the InChIKey of 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
The InChIKey is FIDSNAQUWBQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-5-8-18-13-12-7-6-11-9-10(2)21-15(11)14(12)20-17(3,4)16(13)19/h6-7,9,13,16,18-19H,5,8H2,1-4H3.
What are the key properties of 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol has a molecular weight of 305.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol is sourced from PubChem (CID 53375198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).