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

C18H19ClO — CID 63460880

IUPAC6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C18H19ClO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-10,12,15,18,20H,4,7-8,11H2
InChIKeyVIGDNGAPMFUZRU-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.57
Rot. Bonds2

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

6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 63460880) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID63460880
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1Cc1cccc(Cl)c1
InChIInChI=1S/C18H19ClO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-10,12,15,18,20H,4,7-8,11H2
InChIKeyVIGDNGAPMFUZRU-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 63460880) is 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is OC1c2ccccc2CCCC1Cc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is VIGDNGAPMFUZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-10,12,15,18,20H,4,7-8,11H2.
What are the key properties of 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 286.80 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 63460880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).