6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C18H18ClFO — CID 63459606

IUPAC6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1Cc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFO/c19-16-9-4-10-17(20)15(16)11-13-7-3-6-12-5-1-2-8-14(12)18(13)21/h1-2,4-5,8-10,13,18,21H,3,6-7,11H2
InChIKeyKQQKKDWONPNPOV-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.71
Rot. Bonds2

About 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 63459606) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID63459606
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1Cc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFO/c19-16-9-4-10-17(20)15(16)11-13-7-3-6-12-5-1-2-8-14(12)18(13)21/h1-2,4-5,8-10,13,18,21H,3,6-7,11H2
InChIKeyKQQKKDWONPNPOV-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 63459606) is 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is OC1c2ccccc2CCCC1Cc1c(F)cccc1Cl.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is KQQKKDWONPNPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-16-9-4-10-17(20)15(16)11-13-7-3-6-12-5-1-2-8-14(12)18(13)21/h1-2,4-5,8-10,13,18,21H,3,6-7,11H2.
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 304.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 63459606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).