(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol

C12H13BrO — CID 71061309

IUPAC(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol
SMILESOCC1=Cc2cc(Br)ccc2CCC1
InChIInChI=1S/C12H13BrO/c13-12-5-4-10-3-1-2-9(8-14)6-11(10)7-12/h4-7,14H,1-3,8H2
InChIKeyFEONLBVSUGEZHE-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.16
Rot. Bonds1

About (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol

(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol (PubChem CID 71061309) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol.

Molecular Properties

Compound Name(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol
PubChem CID71061309
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol
SMILESOCC1=Cc2cc(Br)ccc2CCC1
InChIInChI=1S/C12H13BrO/c13-12-5-4-10-3-1-2-9(8-14)6-11(10)7-12/h4-7,14H,1-3,8H2
InChIKeyFEONLBVSUGEZHE-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol?
The IUPAC name of (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol (CID 71061309) is (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol.
What is the SMILES notation for (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol?
The canonical SMILES for (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol is OCC1=Cc2cc(Br)ccc2CCC1.
What is the InChIKey of (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol?
The InChIKey is FEONLBVSUGEZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c13-12-5-4-10-3-1-2-9(8-14)6-11(10)7-12/h4-7,14H,1-3,8H2.
What are the key properties of (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol?
(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol has a molecular weight of 253.14 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol is sourced from PubChem (CID 71061309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).