4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol

C15H21FO — CID 169128264

IUPAC4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCC1CCc2cc(O)c(C(C)C)c(F)c2CC1
InChIInChI=1S/C15H21FO/c1-9(2)14-13(17)8-11-6-4-10(3)5-7-12(11)15(14)16/h8-10,17H,4-7H2,1-3H3
InChIKeyZJXWPLADSDTOIP-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.17
Rot. Bonds1

About 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol

4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (PubChem CID 169128264) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.

Molecular Properties

Compound Name4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
PubChem CID169128264
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
SMILESCC1CCc2cc(O)c(C(C)C)c(F)c2CC1
InChIInChI=1S/C15H21FO/c1-9(2)14-13(17)8-11-6-4-10(3)5-7-12(11)15(14)16/h8-10,17H,4-7H2,1-3H3
InChIKeyZJXWPLADSDTOIP-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The IUPAC name of 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol (CID 169128264) is 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol.
What is the SMILES notation for 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The canonical SMILES for 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is CC1CCc2cc(O)c(C(C)C)c(F)c2CC1.
What is the InChIKey of 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
The InChIKey is ZJXWPLADSDTOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-9(2)14-13(17)8-11-6-4-10(3)5-7-12(11)15(14)16/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol?
4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol has a molecular weight of 236.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol is sourced from PubChem (CID 169128264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).