(4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol

C29H24O2 — CID 101346988

IUPAC(4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol
SMILESCOc1cc2c(cc1O)[C@@]1(c3ccccc3)c3ccccc3C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C29H24O2/c1-31-27-17-22-24(18-26(27)30)29(21-13-6-3-7-14-21)23-15-9-8-12-20(23)16-25(29)28(22)19-10-4-2-5-11-19/h2-15,17-18,25,28,30H,16H2,1H3/t25-,28+,29+/m0/s1
InChIKeyHYWIGSLPDMZUQP-RFYMFKDESA-N
MW404.51 g/mol
LogP6.05
Rot. Bonds3

About (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol

(4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol (PubChem CID 101346988) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol.

Molecular Properties

Compound Name(4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol
PubChem CID101346988
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Name(4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol
SMILESCOc1cc2c(cc1O)[C@@]1(c3ccccc3)c3ccccc3C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C29H24O2/c1-31-27-17-22-24(18-26(27)30)29(21-13-6-3-7-14-21)23-15-9-8-12-20(23)16-25(29)28(22)19-10-4-2-5-11-19/h2-15,17-18,25,28,30H,16H2,1H3/t25-,28+,29+/m0/s1
InChIKeyHYWIGSLPDMZUQP-RFYMFKDESA-N
XLogP6.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol?
The IUPAC name of (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol (CID 101346988) is (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol.
What is the SMILES notation for (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol?
The canonical SMILES for (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol is COc1cc2c(cc1O)[C@@]1(c3ccccc3)c3ccccc3C[C@H]1[C@@H]2c1ccccc1.
What is the InChIKey of (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol?
The InChIKey is HYWIGSLPDMZUQP-RFYMFKDESA-N. The full InChI is InChI=1S/C29H24O2/c1-31-27-17-22-24(18-26(27)30)29(21-13-6-3-7-14-21)23-15-9-8-12-20(23)16-25(29)28(22)19-10-4-2-5-11-19/h2-15,17-18,25,28,30H,16H2,1H3/t25-,28+,29+/m0/s1.
What are the key properties of (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol?
(4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol has a molecular weight of 404.51 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,9aS,10R)-2-methoxy-4b,10-diphenyl-9a,10-dihydro-9H-indeno[1,2-a]inden-3-ol is sourced from PubChem (CID 101346988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).