3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol

C21H20O2 — CID 170123001

IUPAC3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
SMILESCOc1ccc2c3c(cc(O)c2c1)C(C)(C)c1cc(C)ccc1-3
InChIInChI=1S/C21H20O2/c1-12-5-7-15-17(9-12)21(2,3)18-11-19(22)16-10-13(23-4)6-8-14(16)20(15)18/h5-11,22H,1-4H3
InChIKeyRSYUSTJDFHHKID-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.17
Rot. Bonds1

About 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol

3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol (PubChem CID 170123001) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
PubChem CID170123001
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
SMILESCOc1ccc2c3c(cc(O)c2c1)C(C)(C)c1cc(C)ccc1-3
InChIInChI=1S/C21H20O2/c1-12-5-7-15-17(9-12)21(2,3)18-11-19(22)16-10-13(23-4)6-8-14(16)20(15)18/h5-11,22H,1-4H3
InChIKeyRSYUSTJDFHHKID-UHFFFAOYSA-N
XLogP5.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol?
The IUPAC name of 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol (CID 170123001) is 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol.
What is the SMILES notation for 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol?
The canonical SMILES for 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol is COc1ccc2c3c(cc(O)c2c1)C(C)(C)c1cc(C)ccc1-3.
What is the InChIKey of 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol?
The InChIKey is RSYUSTJDFHHKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-12-5-7-15-17(9-12)21(2,3)18-11-19(22)16-10-13(23-4)6-8-14(16)20(15)18/h5-11,22H,1-4H3.
What are the key properties of 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol?
3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol has a molecular weight of 304.39 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol is sourced from PubChem (CID 170123001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).