(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol

C16H13BrO — CID 102268825

IUPAC(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol
SMILESOC1Cc2ccc(Br)cc2/C=C\c2ccccc21
InChIInChI=1S/C16H13BrO/c17-14-8-7-13-10-16(18)15-4-2-1-3-11(15)5-6-12(13)9-14/h1-9,16,18H,10H2/b6-5-
InChIKeySQKJCWUMVDDOPB-WAYWQWQTSA-N
MW301.18 g/mol
LogP4.21
Rot. Bonds

About (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol

(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol (PubChem CID 102268825) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol.

Molecular Properties

Compound Name(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol
PubChem CID102268825
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol
SMILESOC1Cc2ccc(Br)cc2/C=C\c2ccccc21
InChIInChI=1S/C16H13BrO/c17-14-8-7-13-10-16(18)15-4-2-1-3-11(15)5-6-12(13)9-14/h1-9,16,18H,10H2/b6-5-
InChIKeySQKJCWUMVDDOPB-WAYWQWQTSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol?
The IUPAC name of (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol (CID 102268825) is (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol.
What is the SMILES notation for (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol?
The canonical SMILES for (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol is OC1Cc2ccc(Br)cc2/C=C\c2ccccc21.
What is the InChIKey of (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol?
The InChIKey is SQKJCWUMVDDOPB-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H13BrO/c17-14-8-7-13-10-16(18)15-4-2-1-3-11(15)5-6-12(13)9-14/h1-9,16,18H,10H2/b6-5-.
What are the key properties of (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol?
(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol has a molecular weight of 301.18 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol is sourced from PubChem (CID 102268825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).