(2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol

C29H48O2 — CID 146544625

IUPAC(2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C=C[C@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h17,19-22,30H,9-16,18H2,1-8H3/t21?,22?,29-/m0/s1
InChIKeyJDRGHECKJUSWSU-NRVWMRPUSA-N
MW428.70 g/mol
LogP8.92
Rot. Bonds12

About (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol

(2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol (PubChem CID 146544625) has the molecular formula C29H48O2 and a molecular weight of 428.70 g/mol. Its IUPAC name is (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol.

Molecular Properties

Compound Name(2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
PubChem CID146544625
Molecular FormulaC29H48O2
Molecular Weight428.70 g/mol
Exact Mass428.37
IUPAC Name(2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C=C[C@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIInChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h17,19-22,30H,9-16,18H2,1-8H3/t21?,22?,29-/m0/s1
InChIKeyJDRGHECKJUSWSU-NRVWMRPUSA-N
XLogP8.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol?
The IUPAC name of (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol (CID 146544625) is (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol.
What is the SMILES notation for (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol?
The canonical SMILES for (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol is Cc1c(C)c2c(c(C)c1O)C=C[C@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2.
What is the InChIKey of (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol?
The InChIKey is JDRGHECKJUSWSU-NRVWMRPUSA-N. The full InChI is InChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h17,19-22,30H,9-16,18H2,1-8H3/t21?,22?,29-/m0/s1.
What are the key properties of (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol?
(2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol has a molecular weight of 428.70 g/mol, XLogP of 8.92, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol is sourced from PubChem (CID 146544625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).