1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol

C20H26O2 — CID 155763584

IUPAC1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol
SMILESOC1c2cc3c(cc2C2CCCCC12)C(O)C1CCCCC31
InChIInChI=1S/C20H26O2/c21-19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22/h9-14,19-22H,1-8H2
InChIKeyNCBVXWJVCCBCOI-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.33
Rot. Bonds

About 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol

1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol (PubChem CID 155763584) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol.

Molecular Properties

Compound Name1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol
PubChem CID155763584
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol
SMILESOC1c2cc3c(cc2C2CCCCC12)C(O)C1CCCCC31
InChIInChI=1S/C20H26O2/c21-19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22/h9-14,19-22H,1-8H2
InChIKeyNCBVXWJVCCBCOI-UHFFFAOYSA-N
XLogP4.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol?
The IUPAC name of 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol (CID 155763584) is 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol.
What is the SMILES notation for 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol?
The canonical SMILES for 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol is OC1c2cc3c(cc2C2CCCCC12)C(O)C1CCCCC31.
What is the InChIKey of 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol?
The InChIKey is NCBVXWJVCCBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c21-19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22/h9-14,19-22H,1-8H2.
What are the key properties of 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol?
1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol has a molecular weight of 298.43 g/mol, XLogP of 4.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene-6,12-diol is sourced from PubChem (CID 155763584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).