7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol

C23H24O3 — CID 170317987

IUPAC7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
SMILESCCC1(CC)c2ccccc2-c2c1cc(O)c1cc(OC)c(OC)cc21
InChIInChI=1S/C23H24O3/c1-5-23(6-2)17-10-8-7-9-14(17)22-16-12-21(26-4)20(25-3)11-15(16)19(24)13-18(22)23/h7-13,24H,5-6H2,1-4H3
InChIKeyCYIYVODMJQPUCU-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.65
Rot. Bonds4

About 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol

7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol (PubChem CID 170317987) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
PubChem CID170317987
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
SMILESCCC1(CC)c2ccccc2-c2c1cc(O)c1cc(OC)c(OC)cc21
InChIInChI=1S/C23H24O3/c1-5-23(6-2)17-10-8-7-9-14(17)22-16-12-21(26-4)20(25-3)11-15(16)19(24)13-18(22)23/h7-13,24H,5-6H2,1-4H3
InChIKeyCYIYVODMJQPUCU-UHFFFAOYSA-N
XLogP5.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol?
The IUPAC name of 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol (CID 170317987) is 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol.
What is the SMILES notation for 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol?
The canonical SMILES for 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol is CCC1(CC)c2ccccc2-c2c1cc(O)c1cc(OC)c(OC)cc21.
What is the InChIKey of 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol?
The InChIKey is CYIYVODMJQPUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-5-23(6-2)17-10-8-7-9-14(17)22-16-12-21(26-4)20(25-3)11-15(16)19(24)13-18(22)23/h7-13,24H,5-6H2,1-4H3.
What are the key properties of 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol?
7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol has a molecular weight of 348.44 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol is sourced from PubChem (CID 170317987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).