(2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol

C25H40O2 — CID 175882551

IUPAC(2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol
SMILESCC(C)CCCC(C)CCCC(C)CCC[C@@H]1C=Cc2cc(O)ccc2O1
InChIInChI=1S/C25H40O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h14-21,24,26H,5-13H2,1-4H3/t20?,21?,24-/m1/s1
InChIKeyOOTONYMTLRLMTJ-SLXFGWRHSA-N
MW372.59 g/mol
LogP7.61
Rot. Bonds12

About (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol

(2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol (PubChem CID 175882551) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol.

Molecular Properties

Compound Name(2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol
PubChem CID175882551
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Name(2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol
SMILESCC(C)CCCC(C)CCCC(C)CCC[C@@H]1C=Cc2cc(O)ccc2O1
InChIInChI=1S/C25H40O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h14-21,24,26H,5-13H2,1-4H3/t20?,21?,24-/m1/s1
InChIKeyOOTONYMTLRLMTJ-SLXFGWRHSA-N
XLogP7.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol?
The IUPAC name of (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol (CID 175882551) is (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol.
What is the SMILES notation for (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol?
The canonical SMILES for (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol is CC(C)CCCC(C)CCCC(C)CCC[C@@H]1C=Cc2cc(O)ccc2O1.
What is the InChIKey of (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol?
The InChIKey is OOTONYMTLRLMTJ-SLXFGWRHSA-N. The full InChI is InChI=1S/C25H40O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h14-21,24,26H,5-13H2,1-4H3/t20?,21?,24-/m1/s1.
What are the key properties of (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol?
(2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol has a molecular weight of 372.59 g/mol, XLogP of 7.61, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,8,12-trimethyltridecyl)-2H-chromen-6-ol is sourced from PubChem (CID 175882551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).