4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol

C14H19FO2 — CID 169128255

IUPAC4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol
SMILESCC(C)c1c(O)cc2c(c1F)CCC(O)CC2
InChIInChI=1S/C14H19FO2/c1-8(2)13-12(17)7-9-3-4-10(16)5-6-11(9)14(13)15/h7-8,10,16-17H,3-6H2,1-2H3
InChIKeyOUNDLPCUXVIZKD-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.89
Rot. Bonds1

About 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol

4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol (PubChem CID 169128255) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol.

Molecular Properties

Compound Name4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol
PubChem CID169128255
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol
SMILESCC(C)c1c(O)cc2c(c1F)CCC(O)CC2
InChIInChI=1S/C14H19FO2/c1-8(2)13-12(17)7-9-3-4-10(16)5-6-11(9)14(13)15/h7-8,10,16-17H,3-6H2,1-2H3
InChIKeyOUNDLPCUXVIZKD-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol?
The IUPAC name of 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol (CID 169128255) is 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol.
What is the SMILES notation for 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol?
The canonical SMILES for 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol is CC(C)c1c(O)cc2c(c1F)CCC(O)CC2.
What is the InChIKey of 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol?
The InChIKey is OUNDLPCUXVIZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-8(2)13-12(17)7-9-3-4-10(16)5-6-11(9)14(13)15/h7-8,10,16-17H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol?
4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol has a molecular weight of 238.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol is sourced from PubChem (CID 169128255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).