(2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol

C28H46O2 — CID 146501230

IUPAC(2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
SMILESCc1cc2c(c(C)c1O)C=C[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h16,18-22,29H,8-15,17H2,1-7H3/t21-,22-,28-/m1/s1
InChIKeyKSMATCRYYPLXOM-DQCZWYHMSA-N
MW414.67 g/mol
LogP8.61
Rot. Bonds12

About (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol

(2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol (PubChem CID 146501230) has the molecular formula C28H46O2 and a molecular weight of 414.67 g/mol. Its IUPAC name is (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol.

Molecular Properties

Compound Name(2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
PubChem CID146501230
Molecular FormulaC28H46O2
Molecular Weight414.67 g/mol
Exact Mass414.35
IUPAC Name(2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
SMILESCc1cc2c(c(C)c1O)C=C[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h16,18-22,29H,8-15,17H2,1-7H3/t21-,22-,28-/m1/s1
InChIKeyKSMATCRYYPLXOM-DQCZWYHMSA-N
XLogP8.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol?
The IUPAC name of (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol (CID 146501230) is (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol.
What is the SMILES notation for (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol?
The canonical SMILES for (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol is Cc1cc2c(c(C)c1O)C=C[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.
What is the InChIKey of (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol?
The InChIKey is KSMATCRYYPLXOM-DQCZWYHMSA-N. The full InChI is InChI=1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h16,18-22,29H,8-15,17H2,1-7H3/t21-,22-,28-/m1/s1.
What are the key properties of (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol?
(2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol has a molecular weight of 414.67 g/mol, XLogP of 8.61, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5,7-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol is sourced from PubChem (CID 146501230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).