6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C14H19FO — CID 81114397

IUPAC6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1CCCF
InChIInChI=1S/C14H19FO/c15-10-4-8-12-7-3-6-11-5-1-2-9-13(11)14(12)16/h1-2,5,9,12,14,16H,3-4,6-8,10H2
InChIKeyKUNMJZDEICBLRC-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.42
Rot. Bonds3

About 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 81114397) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID81114397
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1CCCF
InChIInChI=1S/C14H19FO/c15-10-4-8-12-7-3-6-11-5-1-2-9-13(11)14(12)16/h1-2,5,9,12,14,16H,3-4,6-8,10H2
InChIKeyKUNMJZDEICBLRC-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
6-[2-(2-hydroxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79423614
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 107900940
6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63461795
6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63459606
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63460880
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
5-bromo-6-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63472788

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 81114397) is 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is OC1c2ccccc2CCCC1CCCF.
What is the InChIKey of 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is KUNMJZDEICBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c15-10-4-8-12-7-3-6-11-5-1-2-9-13(11)14(12)16/h1-2,5,9,12,14,16H,3-4,6-8,10H2.
What are the key properties of 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 222.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 81114397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).