3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol

C25H24O3 — CID 59016543

IUPAC3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol
SMILESCOc1ccc2c(c1)C[C@H]1[C@H](c3cccc(O)c3)c3cc(OC)ccc3C[C@@H]21
InChIInChI=1S/C25H24O3/c1-27-19-8-9-21-17(11-19)13-24-23(21)12-15-6-7-20(28-2)14-22(15)25(24)16-4-3-5-18(26)10-16/h3-11,14,23-26H,12-13H2,1-2H3/t23-,24+,25+/m0/s1
InChIKeySUDUBDIKTYDWPJ-ISJGIBHGSA-N
MW372.46 g/mol
LogP5.05
Rot. Bonds3

About 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol

3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol (PubChem CID 59016543) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol.

Molecular Properties

Compound Name3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol
PubChem CID59016543
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol
SMILESCOc1ccc2c(c1)C[C@H]1[C@H](c3cccc(O)c3)c3cc(OC)ccc3C[C@@H]21
InChIInChI=1S/C25H24O3/c1-27-19-8-9-21-17(11-19)13-24-23(21)12-15-6-7-20(28-2)14-22(15)25(24)16-4-3-5-18(26)10-16/h3-11,14,23-26H,12-13H2,1-2H3/t23-,24+,25+/m0/s1
InChIKeySUDUBDIKTYDWPJ-ISJGIBHGSA-N
XLogP5.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol?
The IUPAC name of 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol (CID 59016543) is 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol.
What is the SMILES notation for 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol?
The canonical SMILES for 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol is COc1ccc2c(c1)C[C@H]1[C@H](c3cccc(O)c3)c3cc(OC)ccc3C[C@@H]21.
What is the InChIKey of 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol?
The InChIKey is SUDUBDIKTYDWPJ-ISJGIBHGSA-N. The full InChI is InChI=1S/C25H24O3/c1-27-19-8-9-21-17(11-19)13-24-23(21)12-15-6-7-20(28-2)14-22(15)25(24)16-4-3-5-18(26)10-16/h3-11,14,23-26H,12-13H2,1-2H3/t23-,24+,25+/m0/s1.
What are the key properties of 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol?
3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol has a molecular weight of 372.46 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol is sourced from PubChem (CID 59016543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).