(3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol

C29H34O2 — CID 138980680

IUPAC(3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol
SMILESCc1ccc(C)c(C(c2cc(C)ccc2C)C2(C)C(O)c3c(C)ccc(C)c3[C@H]2O)c1
InChIInChI=1S/C29H34O2/c1-16-8-10-18(3)22(14-16)26(23-15-17(2)9-11-19(23)4)29(7)27(30)24-20(5)12-13-21(6)25(24)28(29)31/h8-15,26-28,30-31H,1-7H3/t27-,28?,29?/m1/s1
InChIKeySUFRYMNPTNRYGQ-JMYZALGVSA-N
MW414.59 g/mol
LogP6.46
Rot. Bonds3

About (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol

(3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol (PubChem CID 138980680) has the molecular formula C29H34O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol.

Molecular Properties

Compound Name(3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol
PubChem CID138980680
Molecular FormulaC29H34O2
Molecular Weight414.59 g/mol
Exact Mass414.26
IUPAC Name(3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol
SMILESCc1ccc(C)c(C(c2cc(C)ccc2C)C2(C)C(O)c3c(C)ccc(C)c3[C@H]2O)c1
InChIInChI=1S/C29H34O2/c1-16-8-10-18(3)22(14-16)26(23-15-17(2)9-11-19(23)4)29(7)27(30)24-20(5)12-13-21(6)25(24)28(29)31/h8-15,26-28,30-31H,1-7H3/t27-,28?,29?/m1/s1
InChIKeySUFRYMNPTNRYGQ-JMYZALGVSA-N
XLogP6.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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bromo-(2,5-dimethylphenyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol?
The IUPAC name of (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol (CID 138980680) is (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol.
What is the SMILES notation for (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol?
The canonical SMILES for (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol is Cc1ccc(C)c(C(c2cc(C)ccc2C)C2(C)C(O)c3c(C)ccc(C)c3[C@H]2O)c1.
What is the InChIKey of (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol?
The InChIKey is SUFRYMNPTNRYGQ-JMYZALGVSA-N. The full InChI is InChI=1S/C29H34O2/c1-16-8-10-18(3)22(14-16)26(23-15-17(2)9-11-19(23)4)29(7)27(30)24-20(5)12-13-21(6)25(24)28(29)31/h8-15,26-28,30-31H,1-7H3/t27-,28?,29?/m1/s1.
What are the key properties of (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol?
(3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol has a molecular weight of 414.59 g/mol, XLogP of 6.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[bis(2,5-dimethylphenyl)methyl]-2,4,7-trimethyl-1,3-dihydroindene-1,3-diol is sourced from PubChem (CID 138980680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).